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101952-65-2 | 3-Pyridinecarboxylic acid, 3-hydroxypropyl ester
CAS No: 101952-65-2 Catalog No: AG00062S MDL No:
Product Description
Catalog Number:
AG00062S
Chemical Name:
3-Pyridinecarboxylic acid, 3-hydroxypropyl ester
CAS Number:
101952-65-2
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
IUPAC Name:
3-hydroxypropyl pyridine-3-carboxylate
InChI:
InChI=1S/C9H11NO3/c11-5-2-6-13-9(12)8-3-1-4-10-7-8/h1,3-4,7,11H,2,5-6H2
InChI Key:
OVVPXBCSMMGCTP-UHFFFAOYSA-N
SMILES:
OCCCOC(=O)c1cccnc1
Properties
Complexity:
161
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:
5
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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