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Home > Pyridines > 142896-12-6
142896-12-6 | Ethanone, 1-[2-(1-methylethenyl)-4-pyridinyl]
CAS No: 142896-12-6 Catalog No: AG003PYO MDL No:
Product Description
Catalog Number:
AG003PYO
Chemical Name:
Ethanone, 1-[2-(1-methylethenyl)-4-pyridinyl]
CAS Number:
142896-12-6
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
IUPAC Name:
1-(2-prop-1-en-2-ylpyridin-4-yl)ethanone
InChI:
InChI=1S/C10H11NO/c1-7(2)10-6-9(8(3)12)4-5-11-10/h4-6H,1H2,2-3H3
InChI Key:
RYNRLVOZUDLPQK-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccnc(c1)C(=C)C
UNII:
B6R53E7DXB
FEMA Number:
4637
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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