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89398-03-8 | Butanoic acid, 2,2-diethyl-, 2-pyridinyl ester
CAS No: 89398-03-8 Catalog No: AG003WJO MDL No:
Product Description
Catalog Number:
AG003WJO
Chemical Name:
Butanoic acid, 2,2-diethyl-, 2-pyridinyl ester
CAS Number:
89398-03-8
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
IUPAC Name:
pyridin-2-yl 2,2-diethylbutanoate
InChI:
InChI=1S/C13H19NO2/c1-4-13(5-2,6-3)12(15)16-11-9-7-8-10-14-11/h7-10H,4-6H2,1-3H3
InChI Key:
DZZCMHORZJJOCP-UHFFFAOYSA-N
SMILES:
CCC(C(=O)Oc1ccccn1)(CC)CC
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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