Home Carboxys Ethyl 2-(hydroxyMethyl)pyridine-4-carboxylate

Ethyl 2-(hydroxyMethyl)pyridine-4-carboxylate

CAS No.:
31804-60-1
Catalog Number:
AG00CMD1
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
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Product Description
Catalog Number:
AG00CMD1
Chemical Name:
Ethyl 2-(hydroxyMethyl)pyridine-4-carboxylate
CAS Number:
31804-60-1
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD20278013
IUPAC Name:
ethyl 2-(hydroxymethyl)pyridine-4-carboxylate
InChI:
InChI=1S/C9H11NO3/c1-2-13-9(12)7-3-4-10-8(5-7)6-11/h3-5,11H,2,6H2,1H3
InChI Key:
YIVOAWVPVKOQSL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccnc(c1)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