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101952-64-1 | 3-Pyridinecarboxylic acid, 5-hydroxypentyl ester
CAS No: 101952-64-1 Catalog No: AG00062T MDL No:
Product Description
Catalog Number:
AG00062T
Chemical Name:
3-Pyridinecarboxylic acid, 5-hydroxypentyl ester
CAS Number:
101952-64-1
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
5-hydroxypentyl pyridine-3-carboxylate
InChI:
InChI=1S/C11H15NO3/c13-7-2-1-3-8-15-11(14)10-5-4-6-12-9-10/h4-6,9,13H,1-3,7-8H2
InChI Key:
VVEZBNVPLZZJBI-UHFFFAOYSA-N
SMILES:
OCCCCCOC(=O)c1cccnc1
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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