Methyl acrylate
PubChem CID: 7294
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| Compound Synonyms | METHYL ACRYLATE, 96-33-3, Methyl prop-2-enoate, Methylacrylate, Acrylic acid methyl ester, 2-Propenoic acid, methyl ester, Methyl propenoate, Methyl 2-propenoate, Methylacrylaat, Metilacrilato, Methyl-acrylat, Methoxycarbonylethylene, Acrylate de methyle, Acrylic acid, methyl ester, Curithane 103, Acrylsaeuremethylester, Methyl acrylate, monomer, Methyl propenate, Methylester kyseliny akrylove, NSC 24146, CCRIS 1839, HSDB 194, Methyl-acrylat [German], EINECS 202-500-6, UNII-WC487PR91H, 2-propenoic acid methyl ester, BRN 0605396, WC487PR91H, DTXSID0024183, CHEBI:82482, AI3-15715, acrylic acid-methyl ester, CH2=CHCOOCH3, Methyl ester acrylic acid, NSC-24146, Methyl acrylate, inhibited, METHYL-2-PROPENOATE, Methyl Acrylate (Stabilized), DTXCID204183, Methyl ester of 2-propenoic acid, EC 202-500-6, 4-02-00-01457 (Beilstein Handbook Reference), MFCD00008627, Methyl-acrylat (german), METHYL ACRYLATE (IARC), METHYL ACRYLATE [IARC], Methylacrylaat [Dutch], Metilacrilato [Italian], Acrylate de methyle [French], Acrylsaeuremethylester [German], UN1919, Methylester kyseliny akrylove [Czech], methoxyacrolein, methyacrylate, methylacrilate, methyl acrilate, methyl-acrylate, Acrilato de metilo, methyl 2-propen-oate, CHEMBL9019, METHYL ACRYLATE [MI], WLN: 1U1VO1, METHYL ACRYLATE [HSDB], Methyl acrylate, inhibited [UN1919] [Flammable liquid], NSC24146, Methyl acrylate, analytical standard, Tox21_201000, BBL011432, BDBM50245463, Methyl acrylate, monomer(SRI 773), STL146539, AKOS000120907, Methyl Acrylate, stabilized with MEHQ, FM01240, UN 1919, CAS-96-33-3, Methyl Acrylate (stabilized with MEHQ), NCGC00091096-01, NCGC00091096-02, NCGC00258553-01, BP-13449, A0145, NS00007683, EN300-20010, Methyl acrylate, SAJ first grade, >=99.0%, C19443, Methyl acrylate stabilized with 10-20ppm MEHQ, Q343028, F0001-2293, InChI=1/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H, Methyl acrylate, inhibited [UN1919] [Flammable liquid], Methyl acrylate (MA), 99.0%(GC), contains 10-20 ppm MEHQ as stabilizer, Methyl acrylate (MA), AR, 98.5%, contains 0.05% MEHQ as stabilizer, Methyl acrylate, 99%, contains <=100 ppm monomethyl ether hydroquinone as inhibitor, 202-500-6 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | COC=O)C=C |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Description | Methyl acrylate is a contact allergen present in nail lacquer., Methyl acrylate is a volatile alpha beta unsubstituted methyl ester used in the preparation of polyamidoamine (PAMAM) dendrimers typically by Michael addition with a primary amine. |
| Classyfire Subclass | Acrylic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 65.9 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl prop-2-enoate |
| Class | Carboxylic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 0.8 |
| Superclass | Organic acids and derivatives |
| Subclass | Acrylic acids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H6O2 |
| Inchi Key | BAPJBEWLBFYGME-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | 2-Propenoic acid, methyl ester, Acrylate de methyle, Acrylate methyl ester, Acrylic acid methyl ester, Acrylic acid, methyl ester, CH2=CHCOOCH3, Curithane 103, Methacrylate, Methoxycarbonylethylene, Methyl 2-propenoate, Methyl acrylate, Methyl acrylate, inhibited, Methyl acrylate, inhibited [UN1919] [Flammable liquid], Methyl acrylate, monomer, Methyl ester acrylic acid, Methyl ester of 2-propenoic acid, Methyl prop-2-enoate, Methyl propenate, Methyl propenoate, Methyl-acrylat, Methyl-acrylat (german), Methylacrylaat, Methylacrylate, Methylester kyseliny akrylove, Metilacrilato, Methyl acrylic acid, CH2=chcooch3, Methyl ester OF 2-propenoic acid, acrylic acid methyl ester |
| Esol Class | Very soluble |
| Functional Groups | C=CC(=O)OC |
| Compound Name | Methyl acrylate |
| Kingdom | Organic compounds |
| Exact Mass | 86.0368 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 86.0368 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 86.09 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3 |
| Smiles | COC(=O)C=C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Acrylic acid esters |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Ananas Comosus (Plant) Rel Props:Reference:ISBN:9780896038776