4-(3-Cyanophenyl)phenylacetic acid - CAS 893640-23-8
Catalog: |
BB062631 |
Product Name: |
4-(3-Cyanophenyl)phenylacetic acid |
CAS: |
893640-23-8 |
Synonyms: |
4-(3-Cyanophenyl)phenylacetic acid; 2-(3'-Cyano-[1,1'-biphenyl]-4-yl)acetic acid; 2-[4-(3-cyanophenyl)phenyl]acetic acid; 2-(3'-Cyano-[1,1'-biphenyl]-4-yl)aceticacid |
IUPAC Name: | 2-[4-(3-cyanophenyl)phenyl]acetic acid |
Description: | 4-(3-Cyanophenyl)phenylacetic acid |
Molecular Weight: | 237.25 |
Molecular Formula: | C15H11NO2 |
Canonical SMILES: | C1=CC(=CC(=C1)C2=CC=C(C=C2)CC(=O)O)C#N |
InChI: | InChI=1S/C15H11NO2/c16-10-12-2-1-3-14(8-12)13-6-4-11(5-7-13)9-15(17)18/h1-8H,9H2,(H,17,18) |
InChI Key: | FZCMCBMGTVYSLD-UHFFFAOYSA-N |
Complexity: | 336 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.078978594 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 61.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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