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7291-87-4 | 2-Cyclohexen-1-one, 3-methyl-2-(1-methylethyl)-
CAS No: 7291-87-4 Catalog No: AG005DZK MDL No:
Product Description
Catalog Number:
AG005DZK
Chemical Name:
2-Cyclohexen-1-one, 3-methyl-2-(1-methylethyl)-
CAS Number:
7291-87-4
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
IUPAC Name:
3-methyl-2-propan-2-ylcyclohex-2-en-1-one
InChI:
InChI=1S/C10H16O/c1-7(2)10-8(3)5-4-6-9(10)11/h7H,4-6H2,1-3H3
InChI Key:
DODMAZCOMJAOQC-UHFFFAOYSA-N
SMILES:
CC(C1=C(C)CCCC1=O)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.12g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.237g/mol
Monoisotopic Mass:
152.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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