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17332-48-8 | Benzoic acid, 2-[[(3,4-dimethylphenyl)amino]carbonyl]-
CAS No: 17332-48-8 Catalog No: AG001YSS MDL No:MFCD00029948
Product Description
Catalog Number:
AG001YSS
Chemical Name:
Benzoic acid, 2-[[(3,4-dimethylphenyl)amino]carbonyl]-
CAS Number:
17332-48-8
Molecular Formula:
C16H15NO3
Molecular Weight:
269.2952
MDL Number:
MFCD00029948
IUPAC Name:
2-[(3,4-dimethylphenyl)carbamoyl]benzoic acid
InChI:
InChI=1S/C16H15NO3/c1-10-7-8-12(9-11(10)2)17-15(18)13-5-3-4-6-14(13)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChI Key:
DBKSCNINEZDXAU-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)O)Nc1ccc(c(c1)C)C
NSC Number:
164263
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.3g/mol
Monoisotopic Mass:
269.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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