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869949-26-8 | 3-[(4-METHYLBENZYL)AMINO]BENZOIC ACID
CAS No: 869949-26-8 Catalog No: AG004KE7 MDL No:MFCD04546866
Product Description
Catalog Number:
AG004KE7
Chemical Name:
3-[(4-METHYLBENZYL)AMINO]BENZOIC ACID
CAS Number:
869949-26-8
Molecular Formula:
C15H15NO2
Molecular Weight:
241.2851
MDL Number:
MFCD04546866
IUPAC Name:
3-[(4-methylphenyl)methylamino]benzoic acid
InChI:
InChI=1S/C15H15NO2/c1-11-5-7-12(8-6-11)10-16-14-4-2-3-13(9-14)15(17)18/h2-9,16H,10H2,1H3,(H,17,18)
InChI Key:
MBDSGNUQFHBYSE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)CNc1cccc(c1)C(=O)O
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.29g/mol
Monoisotopic Mass:
241.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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