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2658-92-6 | 2-Cyclohexen-1-one, 2-(3-buten-1-yl)-3-methyl-
CAS No: 2658-92-6 Catalog No: AG002TS1 MDL No:
Product Description
Catalog Number:
AG002TS1
Chemical Name:
2-Cyclohexen-1-one, 2-(3-buten-1-yl)-3-methyl-
CAS Number:
2658-92-6
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
2-but-3-enyl-3-methylcyclohex-2-en-1-one
InChI:
InChI=1S/C11H16O/c1-3-4-7-10-9(2)6-5-8-11(10)12/h3H,1,4-8H2,2H3
InChI Key:
WKGMMXCUFOLHKE-UHFFFAOYSA-N
SMILES:
C=CCCC1=C(C)CCCC1=O
NSC Number:
127532
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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