Methyl formate
PubChem CID: 7865
Connections displayed (default: 10).
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| Compound Synonyms | METHYL FORMATE, 107-31-3, Formic acid, methyl ester, Methyl methanoate, Formic acid methyl ester, Methylformiat, Formiate de methyle, Methylformiaat, Mravencan methylnaty, Caswell No. 570, HCOOCH3, methanoic acid methyl ester, Methylester kyseliny mravenci, METHYLFORMATE, Metil (formiato di), Methyle (formiate de), CCRIS 6062, HSDB 232, UNII-1MPH591FTG, EINECS 203-481-7, 1MPH591FTG, EPA Pesticide Chemical Code 053701, DTXSID5025609, CHEBI:77699, AI3-00408, HCO2CH3, DTXCID305609, R-611, EC 203-481-7, Methylformiaat [Dutch], Methylformiat [German], Mravencan methylnaty [Czech], Formiate de methyle [French], Metil (formiato di) [Italian], Methyle (formiate de) [French], MFCD00003291, UN1243, Methylester kyseliny mravenci [Czech], Methyl ester of formic acid, Formic acid, methyl ester, Methanoic acid methyl ester, Methyl formate, Methyl methanoate, R 611, HCOOMe, MeOCHO, HCO2Me, Methyl formate, >=95%, carboxylic acid methyl ester, METHYL FORMATE [MI], METHYL FORMATE [HSDB], CHEMBL295026, CHEBI:25248, Methyl formate, anhydrous, 99%, Methyl formate, analytical standard, Tox21_300962, Methyl formate, reagent grade, 97%, STL453646, AKOS015892698, UN 1243, NCGC00248231-01, NCGC00254864-01, CAS-107-31-3, DB-000421, F0057, F0086, NS00010253, R 611, S0299, InChI=1/C2H4O2/c1-4-2-3/h2H,1H, Methyl formate, spectrophotometric grade, 99%, Methyl formate [UN1243] [Flammable liquid], Q422779, Methyl formate, 97%, may cont. up to ca 3% methanol, 203-481-7, USEPA/OPP Pesticide Code: 053701(U.S. Environmental Protection Agency/Office of Pesticide Program's Chemical Ingredients Database on Methyl Formate (107-31-3). Available from, as of June 1, 2005: http://npirspublic.ceris.purdue.edu/ppis/) |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 4.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 18.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P04792 |
| Iupac Name | methyl formate |
| Prediction Hob | 1.0 |
| Class | Carboxylic acids and derivatives |
| Xlogp | 0.0 |
| Superclass | Organic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Molecular Formula | C2H4O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TZIHFWKZFHZASV-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | 0.737 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.49 |
| Synonyms | Formiate de methyle, Formic acid methyl ester, HCO2CH3, HCOOCH3, Methanoic acid methyl ester, Methyl methanoate, Methylformiat, R-611, Formiic acid de methyle, Formate methyl ester, Methanoate methyl ester, Methyl methanoic acid, Methyl formic acid, Methyl formate, formic-18O-acid-O-methyl-labeled, Methyl formate, 18O-methyl ester-labeled, Methyl formate, hydride |
| Compound Name | Methyl formate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 60.0211 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 60.0211 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 60.05 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -0.16522240000000005 |
| Inchi | InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3 |
| Smiles | COC=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Carboxylic acid esters |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aloe Barbadensis (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all