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1196-22-1 | 2-Cyclopenten-1-one, 2-(acetyloxy)-3-methyl-
CAS No: 1196-22-1 Catalog No: AG000P8Q MDL No:
Product Description
Catalog Number:
AG000P8Q
Chemical Name:
2-Cyclopenten-1-one, 2-(acetyloxy)-3-methyl-
CAS Number:
1196-22-1
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
IUPAC Name:
(2-methyl-5-oxocyclopenten-1-yl) acetate
InChI:
InChI=1S/C8H10O3/c1-5-3-4-7(10)8(5)11-6(2)9/h3-4H2,1-2H3
InChI Key:
NNYIMCWMHNKLNZ-UHFFFAOYSA-N
SMILES:
CC(=O)OC1=C(C)CCC1=O
EC Number:
214-809-3
NSC Number:
109960
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.165g/mol
Monoisotopic Mass:
154.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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