[3-(3-Cyanophenyl)phenyl]acetic Acid - CAS 1334500-02-5
Catalog: |
BB073078 |
Product Name: |
[3-(3-Cyanophenyl)phenyl]acetic Acid |
CAS: |
1334500-02-5 |
Synonyms: |
[3-(3-cyanophenyl)phenyl]acetic acid; 2-(3'-Cyano-[1,1'-biphenyl]-3-yl)acetic acid; 2-[3-(3-cyanophenyl)phenyl]acetic acid; 2-(3'-Cyano-[1,1'-biphenyl]-3-yl)aceticacid |
IUPAC Name: | 2-[3-(3-cyanophenyl)phenyl]acetic acid |
Description: | [3-(3-cyanophenyl)phenyl]acetic acid |
Molecular Weight: | 237.25 |
Molecular Formula: | C15H11NO2 |
Canonical SMILES: | C1=CC(=CC(=C1)C2=CC=CC(=C2)C#N)CC(=O)O |
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 |
Complexity: | 344 |
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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