| CAS Number | 6926-84-7 |
| Catalog Number | AG01A3WI(AGN-PC-0OGQKL) |
| Chemical Name | 2-[2-(methoxycarbonyl)phenyl]benzoic acid |
| IUPAC Name | 2-(2-methoxycarbonylphenyl)benzoic acid |
| InChI | InChI=1S/C15H12O4/c1-19-15(18)13-9-5-3-7-11(13)10-6-2-4-8-12(10)14(16)17/h2-9H,1H3,(H,16,17) |
| InChI Key | ZDVLTXGRPRUSHK-UHFFFAOYSA-N |
| MDL Number | MFCD00223287 |
| Molecular Formula | C15H12O4 |
| Molecular Weight | 256.2534 |
| NSC Number | 116234 |
| SMILES | COC(C1=C(C2=C(C(O)=O)C=CC=C2)C=CC=C1)=O |
| Synonyms | 2-[2-(methoxycarbonyl)phenyl]benzoic acid,
6926-84-7,
NSC116234,
AC1L9HZ2,
AC1Q43JX,
diphenic acid monomethyl ester,
SCHEMBL6437163,
ZINC1705630,
AKOS033643682,
NE17947,
NSC-116234,
2-(2-methoxycarbonylphenyl)benzoic acid,
1,1'-Biphenyl-2,2'-dicarboxylic acid 2-methyl ester,
Z1881598869,
2'-(methoxycarbonyl)-[1,1'-biphenyl]-2-carboxylic acid,
CID419554,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.257g/mol |
| Monoisotopic Mass | 256.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number