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89116-19-8 | Cyclohexanemethanol, 4-(1-methylethenyl)-, acetate
CAS No: 89116-19-8 Catalog No: AG003YBI MDL No:
Product Description
Catalog Number:
AG003YBI
Chemical Name:
Cyclohexanemethanol, 4-(1-methylethenyl)-, acetate
CAS Number:
89116-19-8
Molecular Formula:
C12H22O3
Molecular Weight:
214.3013
IUPAC Name:
acetic acid;(4-prop-1-en-2-ylcyclohexyl)methanol
InChI:
InChI=1S/C10H18O.C2H4O2/c1-8(2)10-5-3-9(7-11)4-6-10;1-2(3)4/h9-11H,1,3-7H2,2H3;1H3,(H,3,4)
InChI Key:
IAZKOPRSBMDECB-UHFFFAOYSA-N
SMILES:
CC(=O)O.OCC1CCC(CC1)C(=C)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.305g/mol
Monoisotopic Mass:
214.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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