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199678-18-7 | [1,1'-Biphenyl]-4-carboxylic acid, 3'-(aminocarbonyl)-
CAS No: 199678-18-7 Catalog No: AG002C9K MDL No:MFCD18312619
Product Description
Catalog Number:
AG002C9K
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3'-(aminocarbonyl)-
CAS Number:
199678-18-7
Molecular Formula:
C14H11NO3
Molecular Weight:
241.2420
MDL Number:
MFCD18312619
IUPAC Name:
4-(3-carbamoylphenyl)benzoic acid
InChI:
InChI=1S/C14H11NO3/c15-13(16)12-3-1-2-11(8-12)9-4-6-10(7-5-9)14(17)18/h1-8H,(H2,15,16)(H,17,18)
InChI Key:
RJUGNNOOCRDGDQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1cccc(c1)C(=O)N
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.246g/mol
Monoisotopic Mass:
241.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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