3-[4-(Dimethylcarbamoyl)phenyl]phenylacetic acid - CAS 1334500-12-7
Catalog: |
BB067062 |
Product Name: |
3-[4-(Dimethylcarbamoyl)phenyl]phenylacetic acid |
CAS: |
1334500-12-7 |
Synonyms: |
3-[4-(Dimethylcarbamoyl)phenyl]phenylacetic acid; 2-(4'-(Dimethylcarbamoyl)-[1,1'-biphenyl]-3-yl)acetic acid; 2-[3-[4-(dimethylcarbamoyl)phenyl]phenyl]acetic acid; 2-(4'-(Dimethylcarbamoyl)-[1,1'-biphenyl]-3-yl)aceticacid |
IUPAC Name: | 2-[3-[4-(dimethylcarbamoyl)phenyl]phenyl]acetic acid |
Description: | 3-[4-(Dimethylcarbamoyl)phenyl]phenylacetic acid |
Molecular Weight: | 283.32 |
Molecular Formula: | C17H17NO3 |
Canonical SMILES: | CN(C)C(=O)C1=CC=C(C=C1)C2=CC=CC(=C2)CC(=O)O |
InChI: | InChI=1S/C17H17NO3/c1-18(2)17(21)14-8-6-13(7-9-14)15-5-3-4-12(10-15)11-16(19)20/h3-10H,11H2,1-2H3,(H,19,20) |
InChI Key: | XOQRNTYBJLLYRH-UHFFFAOYSA-N |
Complexity: | 372 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.1208434 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.1208434 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 57.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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