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129920-09-8 | 2-Pyridinecarboxylic acid, 4-(3-hydroxypropyl)-, methyl ester
CAS No: 129920-09-8 Catalog No: AG000TSL MDL No:
Product Description
Catalog Number:
AG000TSL
Chemical Name:
2-Pyridinecarboxylic acid, 4-(3-hydroxypropyl)-, methyl ester
CAS Number:
129920-09-8
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
IUPAC Name:
methyl 4-(3-hydroxypropyl)pyridine-2-carboxylate
InChI:
InChI=1S/C10H13NO3/c1-14-10(13)9-7-8(3-2-6-12)4-5-11-9/h4-5,7,12H,2-3,6H2,1H3
InChI Key:
QIWUKLIBCDMJHW-UHFFFAOYSA-N
SMILES:
OCCCc1ccnc(c1)C(=O)OC
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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