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89654-09-1 | Ethanol, 2-[[2-methyl-2-(2-propenyl)-3-cyclohexen-1-yl]oxy]-
CAS No: 89654-09-1 Catalog No: AG00465N MDL No:
Product Description
Catalog Number:
AG00465N
Chemical Name:
Ethanol, 2-[[2-methyl-2-(2-propenyl)-3-cyclohexen-1-yl]oxy]-
CAS Number:
89654-09-1
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
2-(2-methyl-2-prop-2-enylcyclohex-3-en-1-yl)oxyethanol
InChI:
InChI=1S/C12H20O2/c1-3-7-12(2)8-5-4-6-11(12)14-10-9-13/h3,5,8,11,13H,1,4,6-7,9-10H2,2H3
InChI Key:
PQAMTOACXMHQNM-UHFFFAOYSA-N
SMILES:
OCCOC1CCC=CC1(C)CC=C
Properties
Complexity:
210
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:
1
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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