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24826-71-9 | 2-Cyclohexen-1-one, 3-methyl-4-(1-methylethyl)-
CAS No: 24826-71-9 Catalog No: AG002PKX MDL No:
Product Description
Catalog Number:
AG002PKX
Chemical Name:
2-Cyclohexen-1-one, 3-methyl-4-(1-methylethyl)-
CAS Number:
24826-71-9
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
IUPAC Name:
3-methyl-4-propan-2-ylcyclohex-2-en-1-one
InChI:
InChI=1S/C10H16O/c1-7(2)10-5-4-9(11)6-8(10)3/h6-7,10H,4-5H2,1-3H3
InChI Key:
PICMFKWTWAPKCB-UHFFFAOYSA-N
SMILES:
CC(C1CCC(=O)C=C1C)C
Properties
Complexity:
189
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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