3-Carboxymethyl-3'-(dimethylaminocarbonyl)biphenyl - CAS 1375068-92-0
Catalog: |
BB070543 |
Product Name: |
3-Carboxymethyl-3'-(dimethylaminocarbonyl)biphenyl |
CAS: |
1375068-92-0 |
Synonyms: |
3-Carboxymethyl-3'-(dimethylaminocarbonyl)biphenyl; 2-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]acetic acid; [3'-(Dimethylcarbamoyl)[1,1'-biphenyl]-3-yl]acetic acid |
IUPAC Name: | 2-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]acetic acid |
Description: | 3-Carboxymethyl-3'-(dimethylaminocarbonyl)biphenyl |
Molecular Weight: | 283.32 |
Molecular Formula: | C17H17NO3 |
Canonical SMILES: | CN(C)C(=O)C1=CC=CC(=C1)C2=CC=CC(=C2)CC(=O)O |
InChI: | InChI=1S/C17H17NO3/c1-18(2)17(21)15-8-4-7-14(11-15)13-6-3-5-12(9-13)10-16(19)20/h3-9,11H,10H2,1-2H3,(H,19,20) |
InChI Key: | DOMOSSVLTMAYES-UHFFFAOYSA-N |
Complexity: | 380 |
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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