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1261941-21-2 | [1,1'-Biphenyl]-2-carboxylic acid, 3'-[(methylamino)carbonyl]-
CAS No: 1261941-21-2 Catalog No: AG000S71 MDL No:MFCD18312647
Product Description
Catalog Number:
AG000S71
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 3'-[(methylamino)carbonyl]-
CAS Number:
1261941-21-2
Molecular Formula:
C15H13NO3
Molecular Weight:
255.2686
MDL Number:
MFCD18312647
IUPAC Name:
2-[3-(methylcarbamoyl)phenyl]benzoic acid
InChI:
InChI=1S/C15H13NO3/c1-16-14(17)11-6-4-5-10(9-11)12-7-2-3-8-13(12)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)
InChI Key:
RMSUIHDURDTCKI-UHFFFAOYSA-N
SMILES:
CNC(=O)c1cccc(c1)c1ccccc1C(=O)O
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.273g/mol
Monoisotopic Mass:
255.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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