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20144-45-0 | 1-Cyclohexen-1-ol, 5-methyl-2-(1-methylethyl)-, 1-acetate
CAS No: 20144-45-0 Catalog No: AG002DEN MDL No:
Product Description
Catalog Number:
AG002DEN
Chemical Name:
1-Cyclohexen-1-ol, 5-methyl-2-(1-methylethyl)-, 1-acetate
CAS Number:
20144-45-0
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
(5-methyl-2-propan-2-ylcyclohexen-1-yl) acetate
InChI:
InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9H,5-7H2,1-4H3
InChI Key:
ACRDFOPYQAGNPS-UHFFFAOYSA-N
SMILES:
CC1CCC(=C(C1)OC(=O)C)C(C)C
EC Number:
243-545-1
Properties
Complexity:
251
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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