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132241-73-7 | 4-Pyridineacetic acid, butyl ester
CAS No: 132241-73-7 Catalog No: AG0010FX MDL No:
Product Description
Catalog Number:
AG0010FX
Chemical Name:
4-Pyridineacetic acid, butyl ester
CAS Number:
132241-73-7
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
IUPAC Name:
butyl 2-pyridin-4-ylacetate
InChI:
InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-10-4-6-12-7-5-10/h4-7H,2-3,8-9H2,1H3
InChI Key:
NXSGYJCGZLTOSR-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)Cc1ccncc1
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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