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Home > Pyridines > 1171924-29-0
1171924-29-0 | 2-Hydroxy-6-(2-pyridin-4-yl-vinyl)-benzoic acid methyl ester
CAS No: 1171924-29-0 Catalog No: AG00JS4O MDL No:
Product Description
Catalog Number:
AG00JS4O
Chemical Name:
2-Hydroxy-6-(2-pyridin-4-yl-vinyl)-benzoic acid methyl ester
CAS Number:
1171924-29-0
Molecular Formula:
C15H13NO3
Molecular Weight:
255.2686
IUPAC Name:
methyl 2-hydroxy-6-[(E)-2-pyridin-4-ylethenyl]benzoate
InChI:
InChI=1S/C15H13NO3/c1-19-15(18)14-12(3-2-4-13(14)17)6-5-11-7-9-16-10-8-11/h2-10,17H,1H3/b6-5+
InChI Key:
DMVCBKYVUYWMFK-AATRIKPKSA-N
SMILES:
COC(=O)c1c(cccc1O)/C=C/c1ccncc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
255.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.273g/mol
Monoisotopic Mass:
255.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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