| CAS Number | 1334500-02-5 |
| Catalog Number | AG0072N0(AGN-PC-0K4N7C) |
| Chemical Name | [3-(3-Cyanophenyl)phenyl]acetic acid |
| IUPAC Name | 2-[3-(3-cyanophenyl)phenyl]acetic acid |
| InChI | InChI=1S/C15H11NO2/c16-10-12-4-2-6-14(8-12)13-5-1-3-11(7-13)9-15(17)18/h1-8H,9H2,(H,17,18) |
| InChI Key | HMYJGENGCMXDLR-UHFFFAOYSA-N |
| MDL Number | MFCD05981177 |
| Molecular Formula | C15H11NO2 |
| Molecular Weight | 237.2533 |
| SMILES | N#Cc1cccc(c1)c1cccc(c1)CC(=O)O |
| Synonyms | 1334500-02-5,
[3-(3-cyanophenyl)phenyl]acetic acid,
2-(3'-Cyano-[1,1'-biphenyl]-3-yl)acetic acid,
ACMC-209bsa,
CTK8B0190,
DTXSID10362666,
ZINC1258047,
6085AA,
ANW-19544,
MFCD05981177,
AKOS015893141,
AJ-25241,
AX8242841,
TC-108289,
B-7159,
I04-1866,
C15H11NO2,
2-(3'-Cyano-[1,1'-biphenyl]-3-yl)aceticacid,
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| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.258g/mol |
| Monoisotopic Mass | 237.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number