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89690-65-3 | 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-hydroxy-, ethyl ester
CAS No: 89690-65-3 Catalog No: AG004398 MDL No:
Product Description
Catalog Number:
AG004398
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-hydroxy-, ethyl ester
CAS Number:
89690-65-3
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
IUPAC Name:
ethyl 4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate
InChI:
InChI=1S/C8H13NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h3,5,7,10H,2,4,6H2,1H3
InChI Key:
FCGREWKWOBEUCY-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCC(C=C1)O
NSC Number:
383239
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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