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101952-63-0 | 3-Pyridinecarboxylic acid, 6-hydroxyhexyl ester
CAS No: 101952-63-0 Catalog No: AG00062U MDL No:
Product Description
Catalog Number:
AG00062U
Chemical Name:
3-Pyridinecarboxylic acid, 6-hydroxyhexyl ester
CAS Number:
101952-63-0
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
IUPAC Name:
6-hydroxyhexyl pyridine-3-carboxylate
InChI:
InChI=1S/C12H17NO3/c14-8-3-1-2-4-9-16-12(15)11-6-5-7-13-10-11/h5-7,10,14H,1-4,8-9H2
InChI Key:
HRRFQOPYFCYNRN-UHFFFAOYSA-N
SMILES:
OCCCCCCOC(=O)c1cccnc1
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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