| CAS Number | 103040-43-3 |
| Catalog Number | AG0098EC(AGN-PC-0N45SS) |
| Chemical Name | Methyl 3-(3-chlorophenyl)propanoate |
| IUPAC Name | methyl 3-(3-chlorophenyl)propanoate |
| InChI | InChI=1S/C10H11ClO2/c1-13-10(12)6-5-8-3-2-4-9(11)7-8/h2-4,7H,5-6H2,1H3 |
| InChI Key | DMMDXXSAQGCQBV-UHFFFAOYSA-N |
| MDL Number | MFCD04114353 |
| Molecular Formula | C10H11ClO2 |
| Molecular Weight | 198.6461 |
| SMILES | COC(CCC1C=CC=C(Cl)C=1)=O |
| Synonyms | Methyl 3-(3-chlorophenyl)propanoate,
103040-43-3,
Benzenepropanoic acid, 3-chloro-, methyl ester,
SCHEMBL9545043,
DMMDXXSAQGCQBV-UHFFFAOYSA-N,
ZINC2599157,
MFCD04114353,
Methyl 3-(3-Chlorophenyl)-propanoate,
3-Chlorohydrocinnamic acid methyl ester,
AB18124,
CID10420286,
2-(3-CHLORO-PHENYL)-PROPIONIC ACID METHYL ESTER,
103040-42-2,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.646g/mol |
| Monoisotopic Mass | 198.045g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number