| CAS Number | 38383-50-5 |
| Catalog Number | AG00C6QG(AGN-PC-0NJC96) |
| Chemical Name | Benzoic acid, 3-ethenyl-, methyl ester |
| IUPAC Name | methyl 3-ethenylbenzoate |
| InChI | InChI=1S/C10H10O2/c1-3-8-5-4-6-9(7-8)10(11)12-2/h3-7H,1H2,2H3 |
| InChI Key | MBKUHNGECMPIHH-UHFFFAOYSA-N |
| MDL Number | MFCD06203923 |
| Molecular Formula | C10H10O2 |
| Molecular Weight | 162.1852 |
| SMILES | COC(=O)c1cccc(c1)C=C |
| Synonyms | Methyl 3-vinylbenzoate,
38383-50-5,
Benzoic acid, 3-ethenyl-, methyl ester,
methyl 3-ethenylbenzoate,
SCHEMBL498199,
3-vinylbenzoic acid methyl ester,
MBKUHNGECMPIHH-UHFFFAOYSA-N,
ZINC39244551,
AKOS006295237,
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| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.188g/mol |
| Monoisotopic Mass | 162.068g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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