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88744-61-0 | Benzoic acid, 4-[[(2,4,6-trimethylphenyl)methyl]amino]-
CAS No: 88744-61-0 Catalog No: AG004F5P MDL No:
Product Description
Catalog Number:
AG004F5P
Chemical Name:
Benzoic acid, 4-[[(2,4,6-trimethylphenyl)methyl]amino]-
CAS Number:
88744-61-0
Molecular Formula:
C17H19NO2
Molecular Weight:
269.3383
IUPAC Name:
4-[(2,4,6-trimethylphenyl)methylamino]benzoic acid
InChI:
InChI=1S/C17H19NO2/c1-11-8-12(2)16(13(3)9-11)10-18-15-6-4-14(5-7-15)17(19)20/h4-9,18H,10H2,1-3H3,(H,19,20)
InChI Key:
CPIVNCCDDXHDCA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)NCc1c(C)cc(cc1C)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.344g/mol
Monoisotopic Mass:
269.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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