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23592-65-6 | Benzoic acid, 2-[(2,4,6-trimethylphenyl)amino]-
CAS No: 23592-65-6 Catalog No: AG002NSY MDL No:
Product Description
Catalog Number:
AG002NSY
Chemical Name:
Benzoic acid, 2-[(2,4,6-trimethylphenyl)amino]-
CAS Number:
23592-65-6
Molecular Formula:
C16H17NO2
Molecular Weight:
255.3117
IUPAC Name:
2-(2,4,6-trimethylanilino)benzoic acid
InChI:
InChI=1S/C16H17NO2/c1-10-8-11(2)15(12(3)9-10)17-14-7-5-4-6-13(14)16(18)19/h4-9,17H,1-3H3,(H,18,19)
InChI Key:
ZTYQGIBMDZRXJW-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)Nc1ccccc1C(=O)O
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.317g/mol
Monoisotopic Mass:
255.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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