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Home > Pyridines > 365542-31-0
365542-31-0 | 2-Hydroxy-6-(2-pyridin-2-yl-vinyl)-benzoic acid methyl ester
CAS No: 365542-31-0 Catalog No: AG00JS62 MDL No:
Product Description
Catalog Number:
AG00JS62
Chemical Name:
2-Hydroxy-6-(2-pyridin-2-yl-vinyl)-benzoic acid methyl ester
CAS Number:
365542-31-0
Molecular Formula:
C15H14ClNO3
Molecular Weight:
291.7296
IUPAC Name:
methyl 2-hydroxy-6-[(E)-2-pyridin-2-ylethenyl]benzoate;hydrochloride
InChI:
InChI=1S/C15H13NO3.ClH/c1-19-15(18)14-11(5-4-7-13(14)17)8-9-12-6-2-3-10-16-12;/h2-10,17H,1H3;1H/b9-8+;
InChI Key:
PYXWCKDXJMRJBN-HRNDJLQDSA-N
SMILES:
COC(=O)c1c(cccc1O)/C=C/c1ccccn1.Cl
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
291.066g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.731g/mol
Monoisotopic Mass:
291.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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