Methyl furan-3-carboxylate
PubChem CID: 14918
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| Compound Synonyms | methyl furan-3-carboxylate, 13129-23-2, Methyl 3-furoate, Methyl 3-furancarboxylate, 3-Furancarboxylic Acid Methyl Ester, 3-Furancarboxylic acid, methyl ester, 3-(Methoxycarbonyl)furan, 3-Furoic acid, methyl ester, NSC-305748, 1334-76-5, UNII-V05P3H54N5, V05P3H54N5, MFCD06203671, NSC 305748, furan-3-carboxylic acid methyl ester, Methyl furancarboxylate, 3-Furoic Acid Methyl Ester, methylfuran-3-carboxylate, UNII-WS10TS94NA, WS10TS94NA, SCHEMBL826948, DTXSID00871954, BCP22945, EINECS 215-614-6, GEO-03412, NSC305748, AKOS009099213, SB60958, AC-25742, LS-13123, SY038697, DB-042020, CS-0187526, F0468, NS00127226, EN300-61704, D90674, Q27291369, 672-679-7 |
|---|---|
| Topological Polar Surface Area | 39.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 111.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl furan-3-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C6H6O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZKHQSQYLKSSYIP-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -2.191 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.922 |
| Compound Name | Methyl furan-3-carboxylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 126.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 126.032 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 126.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.707399311111111 |
| Inchi | InChI=1S/C6H6O3/c1-8-6(7)5-2-3-9-4-5/h2-4H,1H3 |
| Smiles | COC(=O)C1=COC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients