Methyl methoxyacetate
PubChem CID: 80507
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| Compound Synonyms | Methyl methoxyacetate, 6290-49-9, Methyl 2-methoxyacetate, Methy methoxy acetate, Acetic acid, methoxy-, methyl ester, Methyl-2-methoxyacetate, Methoxyacetic acid methyl ester, CBC 108569, Methoxyacetic acid, methyl ester, NSC 6701, EINECS 228-539-9, NSC 61447, Acetic acid, 2-methoxy-, methyl ester, BRN 1742944, N960NQ69LF, AI3-22758, NSC-6701, NSC-61447, DTXSID3074608, methoxy acetic acid methyl ester, QRMHDGWGLNLHMN-UHFFFAOYSA-, ACETICACID,METHOXY-,METHYL, 4-03-00-00578 (Beilstein Handbook Reference), METHYL .ALPHA.-METHOXYACETATE, 115171-85-2, METHYL METHOXYACETATE (1,1,1-D3), methyl metoxyacetate, Methoxyacetic Acid Methyl Ester, Methyl 2-Methoxyacetate, Methyl Methoxyacetate, Methyl alpha-Methoxyacetate, NSC 61447, NSC 6701, Methyl2methoxyacetate, MFCD00008451, methyl methoxylacetate, Methyl 2methoxyacetate, Methyl alphamethoxyacetate, Methyl methoxyacetate 99%, Methyl methoxyacetate, 99%, UNII-N960NQ69LF, SCHEMBL29374, DTXCID7043586, Methoxy-acetic acid methyl ester, CHEBI:34841, NSC6701, METHYL ALPHA-METHOXYACETATE, methyl ester of methoxyacetic acid, Acetic acid, methoxy, methyl ester, NSC61447, Acetic acid, 2methoxy, methyl ester, AKOS008905286, AS-10783, M0863, NS00021269, EN300-84757, F53343, Q27116293, F0001-1705, 228-539-9 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | COCC=O)OC |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Carboxylic acid derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 60.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2-methoxyacetate |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 0.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H8O3 |
| Inchi Key | QRMHDGWGLNLHMN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | methyl methoxyacetate |
| Esol Class | Very soluble |
| Functional Groups | COC, COC(C)=O |
| Compound Name | Methyl methoxyacetate |
| Exact Mass | 104.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 104.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 104.1 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3 |
| Smiles | COCC(=O)OC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Persicaria Hydropiper (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1363