Home Other Building Blocks Methyl 2-(hydroxymethyl)isonicotinate

Methyl 2-(hydroxymethyl)isonicotinate

CAS No.:
58481-17-7
Catalog Number:
AG0037KX
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
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Product Description
Catalog Number:
AG0037KX
Chemical Name:
Methyl 2-(hydroxymethyl)isonicotinate
CAS Number:
58481-17-7
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD11848098
IUPAC Name:
methyl 2-(hydroxymethyl)pyridine-4-carboxylate
InChI:
InChI=1S/C8H9NO3/c1-12-8(11)6-2-3-9-7(4-6)5-10/h2-4,10H,5H2,1H3
InChI Key:
PBBNEARCAGHGCQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnc(c1)CO
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties