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128445-75-0 | 2-Cyclohexen-1-one, 3-butoxy-5,5-dimethyl-
CAS No: 128445-75-0 Catalog No: AG000Y4A MDL No:
Product Description
Catalog Number:
AG000Y4A
Chemical Name:
2-Cyclohexen-1-one, 3-butoxy-5,5-dimethyl-
CAS Number:
128445-75-0
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
3-butoxy-5,5-dimethylcyclohex-2-en-1-one
InChI:
InChI=1S/C12H20O2/c1-4-5-6-14-11-7-10(13)8-12(2,3)9-11/h7H,4-6,8-9H2,1-3H3
InChI Key:
FEACZLGPKUYRIK-UHFFFAOYSA-N
SMILES:
CCCCOC1=CC(=O)CC(C1)(C)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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