| CAS Number | 878466-41-2 |
| Catalog Number | AG019PMF |
| Chemical Name | 3-(3-Chloro-4-methylphenyl)propanoic acid |
| IUPAC Name | 3-(3-chloro-4-methylphenyl)propanoic acid |
| InChI | InChI=1S/C10H11ClO2/c1-7-2-3-8(6-9(7)11)4-5-10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13) |
| InChI Key | QJDLNVLYXJZKAQ-UHFFFAOYSA-N |
| MDL Number | MFCD06823959 |
| Molecular Formula | C10H11ClO2 |
| Molecular Weight | 198.6461 |
| SMILES | ClC=1C=C(C=CC1C)CCC(=O)O |
| Synonyms | 3-(3-chloro-4-methylphenyl)propanoic acid,
878466-41-2,
SCHEMBL14461367,
CTK7J3030,
ZINC8231217,
AKOS001222883,
MCULE-9054375105,
NCGC00337403-01,
SC-42204,
3-(3'-Chloro-4'-methylphenyl)propionic acid,
EN300-24322,
AB01329662-02,
Z188924464,
AC1Q2F4P,
CID9361771,
3-(3-chloro-4-methyl-phenyl)propanoic Acid,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.044757g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.64g/mol |
| Monoisotopic Mass | 198.044757g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number