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116702-65-9 | Benzoic acid, 3-amino-2-[(4-methylphenyl)amino]-
CAS No: 116702-65-9 Catalog No: AG000D0G MDL No:MFCD08056210
Product Description
Catalog Number:
AG000D0G
Chemical Name:
Benzoic acid, 3-amino-2-[(4-methylphenyl)amino]-
CAS Number:
116702-65-9
Molecular Formula:
C14H14N2O2
Molecular Weight:
242.2732
MDL Number:
MFCD08056210
IUPAC Name:
3-amino-2-(4-methylanilino)benzoic acid
InChI:
InChI=1S/C14H14N2O2/c1-9-5-7-10(8-6-9)16-13-11(14(17)18)3-2-4-12(13)15/h2-8,16H,15H2,1H3,(H,17,18)
InChI Key:
GTTBSDNXVFGONG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Nc1c(N)cccc1C(=O)O
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
242.278g/mol
Monoisotopic Mass:
242.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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