4-(3-Carboxyphenyl)-3-methylbenzoic acid - CAS 1261910-15-9
Catalog: |
BB070522 |
Product Name: |
4-(3-Carboxyphenyl)-3-methylbenzoic acid |
CAS: |
1261910-15-9 |
Synonyms: |
4-(3-CARBOXYPHENYL)-3-METHYLBENZOIC ACID; 2'-Methyl-[1,1'-biphenyl]-3,4'-dicarboxylic acid; 2'-Methyl-[1,1'-biphenyl]-3,4'-dicarboxylicacid |
IUPAC Name: | 4-(3-carboxyphenyl)-3-methylbenzoic acid |
Description: | 4-(3-Carboxyphenyl)-3-methylbenzoic acid |
Molecular Weight: | 256.25 |
Molecular Formula: | C15H12O4 |
Canonical SMILES: | CC1=C(C=CC(=C1)C(=O)O)C2=CC(=CC=C2)C(=O)O |
InChI: | InChI=1S/C15H12O4/c1-9-7-12(15(18)19)5-6-13(9)10-3-2-4-11(8-10)14(16)17/h2-8H,1H3,(H,16,17)(H,18,19) |
InChI Key: | CXYZKFMQBLJPQG-UHFFFAOYSA-N |
Complexity: | 352 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.07355886 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 74.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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