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116628-14-9

116628-14-9 | Benzoic acid, 2-[(1-phenylethylidene)amino]-

CAS No: 116628-14-9 Catalog No: AG000CW6 MDL No:

Product Description

Catalog Number:
AG000CW6
Chemical Name:
Benzoic acid, 2-[(1-phenylethylidene)amino]-
CAS Number:
116628-14-9
Molecular Formula:
C15H13NO2
Molecular Weight:
239.2692
IUPAC Name:
2-(1-phenylethylideneamino)benzoic acid
InChI:
InChI=1S/C15H13NO2/c1-11(12-7-3-2-4-8-12)16-14-10-6-5-9-13(14)15(17)18/h2-10H,1H3,(H,17,18)
InChI Key:
MDCJOVVRXLOXHK-UHFFFAOYSA-N
SMILES:
CC(=Nc1ccccc1C(=O)O)c1ccccc1

Properties

Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.095g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.274g/mol
Monoisotopic Mass:
239.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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