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81376-88-7 | Ethanone, 1-(3-ethoxy-2-pyridinyl)- (9CI)
CAS No: 81376-88-7 Catalog No: AG00GP60 MDL No:
Product Description
Catalog Number:
AG00GP60
Chemical Name:
Ethanone, 1-(3-ethoxy-2-pyridinyl)- (9CI)
CAS Number:
81376-88-7
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
IUPAC Name:
1-(3-ethoxypyridin-2-yl)ethanone
InChI:
InChI=1S/C9H11NO2/c1-3-12-8-5-4-6-10-9(8)7(2)11/h4-6H,3H2,1-2H3
InChI Key:
WKRGKIHCBFXPFY-UHFFFAOYSA-N
SMILES:
CCOc1cccnc1C(=O)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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