| CAS Number | 1181452-14-1 |
| Catalog Number | AG00HEDT(AGN-PC-0WAXZB) |
| Chemical Name | 4'-Methoxy-6-methyl-[1,1’-biphenyl]-3-carboxylic Acid |
| IUPAC Name | 3-(4-methoxyphenyl)-4-methylbenzoic acid |
| InChI | InChI=1S/C15H14O3/c1-10-3-4-12(15(16)17)9-14(10)11-5-7-13(18-2)8-6-11/h3-9H,1-2H3,(H,16,17) |
| InChI Key | QYRSNZGYFGYTOP-UHFFFAOYSA-N |
| MDL Number | MFCD11933504 |
| Molecular Formula | C15H14O3 |
| Molecular Weight | 242.2699 |
| SMILES | CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(C=C2)OC |
| Synonyms | 4'-Methoxy-6-methyl-[1,1'-biphenyl]-3-carboxylic acid,
1181452-14-1,
3-(4-methoxyphenyl)-4-methylbenzoic acid,
AMTDA138,
SCHEMBL2744548,
ZX-RL002551,
MFCD11933504,
ZINC32003155,
AKOS016339705,
AS-2148,
IMED1456243887,
OR303366,
KS-00002281,
C15H14O3,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.274g/mol |
| Monoisotopic Mass | 242.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number