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144293-04-9 | 2-Cyclohexen-1-ol, 1-butyl-4,4-dimethyl-
CAS No: 144293-04-9 Catalog No: AG001J9S MDL No:
Product Description
Catalog Number:
AG001J9S
Chemical Name:
2-Cyclohexen-1-ol, 1-butyl-4,4-dimethyl-
CAS Number:
144293-04-9
Molecular Formula:
C12H22O
Molecular Weight:
182.3025
IUPAC Name:
1-butyl-4,4-dimethylcyclohex-2-en-1-ol
InChI:
InChI=1S/C12H22O/c1-4-5-6-12(13)9-7-11(2,3)8-10-12/h7,9,13H,4-6,8,10H2,1-3H3
InChI Key:
BACSJQJIGZQRCA-UHFFFAOYSA-N
SMILES:
CCCCC1(O)CCC(C=C1)(C)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.167g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.307g/mol
Monoisotopic Mass:
182.167g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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