Home Carboxys 3-Pyridinecarboxylic acid, 6-(hydroxyMethyl)-, ethyl ester

3-Pyridinecarboxylic acid, 6-(hydroxyMethyl)-, ethyl ester

CAS No.:
35005-81-3
Catalog Number:
AG00D1VZ
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
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Product Description
Catalog Number:
AG00D1VZ
Chemical Name:
3-Pyridinecarboxylic acid, 6-(hydroxyMethyl)-, ethyl ester
CAS Number:
35005-81-3
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD12131130
IUPAC Name:
ethyl 6-(hydroxymethyl)pyridine-3-carboxylate
InChI:
InChI=1S/C9H11NO3/c1-2-13-9(12)7-3-4-8(6-11)10-5-7/h3-5,11H,2,6H2,1H3
InChI Key:
RDSGPHNFOMPILP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(nc1)CO
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties