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114300-64-0

114300-64-0 | 2-Cyclohexen-1-one, 4-ethenyl-4-methyl-

CAS No: 114300-64-0 Catalog No: AG000B1S MDL No:

Product Description

Catalog Number:
AG000B1S
Chemical Name:
2-Cyclohexen-1-one, 4-ethenyl-4-methyl-
CAS Number:
114300-64-0
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
IUPAC Name:
4-ethenyl-4-methylcyclohex-2-en-1-one
InChI:
InChI=1S/C9H12O/c1-3-9(2)6-4-8(10)5-7-9/h3-4,6H,1,5,7H2,2H3
InChI Key:
OVFWPWSMANSTRS-UHFFFAOYSA-N
SMILES:
CC1(CCC(=O)C=C1)C=C

Properties

Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.089g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.194g/mol
Monoisotopic Mass:
136.089g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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