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1215206-63-5 | [1,1'-Biphenyl]-3-carboxylic acid, 3'-(methylamino)-
CAS No: 1215206-63-5 Catalog No: AG00157H MDL No:
Product Description
Catalog Number:
AG00157H
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3'-(methylamino)-
CAS Number:
1215206-63-5
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
IUPAC Name:
3-[3-(methylamino)phenyl]benzoic acid
InChI:
InChI=1S/C14H13NO2/c1-15-13-7-3-5-11(9-13)10-4-2-6-12(8-10)14(16)17/h2-9,15H,1H3,(H,16,17)
InChI Key:
LJUHYKRGPWUDER-UHFFFAOYSA-N
SMILES:
CNc1cccc(c1)c1cccc(c1)C(=O)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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