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17605-08-2 | 2-Cyclohexen-1-one, 3-methyl-2-(2-propen-1-yl)-
CAS No: 17605-08-2 Catalog No: AG0021EI MDL No:
Product Description
Catalog Number:
AG0021EI
Chemical Name:
2-Cyclohexen-1-one, 3-methyl-2-(2-propen-1-yl)-
CAS Number:
17605-08-2
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
IUPAC Name:
3-methyl-2-prop-2-enylcyclohex-2-en-1-one
InChI:
InChI=1S/C10H14O/c1-3-5-9-8(2)6-4-7-10(9)11/h3H,1,4-7H2,2H3
InChI Key:
MBFGPYWVZXMLIT-UHFFFAOYSA-N
SMILES:
C=CCC1=C(C)CCCC1=O
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.104g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.221g/mol
Monoisotopic Mass:
150.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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