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1632286-08-8 | 2-Pyridinecarboxylic acid, 1,4-dihydro-4-hydroxy-5-[(4-methoxyphenyl)methoxy]-
CAS No: 1632286-08-8 Catalog No: AG001TWW MDL No:
Product Description
Catalog Number:
AG001TWW
Chemical Name:
2-Pyridinecarboxylic acid, 1,4-dihydro-4-hydroxy-5-[(4-methoxyphenyl)methoxy]-
CAS Number:
1632286-08-8
Molecular Formula:
C14H15NO5
Molecular Weight:
277.2726
IUPAC Name:
4-hydroxy-5-[(4-methoxyphenyl)methoxy]-1,4-dihydropyridine-2-carboxylic acid
InChI:
InChI=1S/C14H15NO5/c1-19-10-4-2-9(3-5-10)8-20-13-7-15-11(14(17)18)6-12(13)16/h2-7,12,15-16H,8H2,1H3,(H,17,18)
InChI Key:
JZRUEZHLKZUQCY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)COC1=CNC(=CC1O)C(=O)O
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
277.276g/mol
Monoisotopic Mass:
277.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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