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89814-41-5 | Benzoic acid, 2-hydroxy-5-[(3-pyridinylimino)methyl]-, methyl ester
CAS No: 89814-41-5 Catalog No: AG003Z7A MDL No:
Product Description
Catalog Number:
AG003Z7A
Chemical Name:
Benzoic acid, 2-hydroxy-5-[(3-pyridinylimino)methyl]-, methyl ester
CAS Number:
89814-41-5
Molecular Formula:
C14H12N2O3
Molecular Weight:
256.2567
IUPAC Name:
methyl 2-hydroxy-5-(pyridin-3-yliminomethyl)benzoate
InChI:
InChI=1S/C14H12N2O3/c1-19-14(18)12-7-10(4-5-13(12)17)8-16-11-3-2-6-15-9-11/h2-9,17H,1H3
InChI Key:
ISKOAXBEOFUWHU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C=Nc2cccnc2)ccc1O
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.261g/mol
Monoisotopic Mass:
256.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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