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15593-88-1 | 1-Propen-1-ol, 2-(4-methyl-3-cyclohexen-1-yl)-, 1-acetate
CAS No: 15593-88-1 Catalog No: AG001OD1 MDL No:
Product Description
Catalog Number:
AG001OD1
Chemical Name:
1-Propen-1-ol, 2-(4-methyl-3-cyclohexen-1-yl)-, 1-acetate
CAS Number:
15593-88-1
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
2-(4-methylcyclohex-3-en-1-yl)prop-1-enyl acetate
InChI:
InChI=1S/C12H18O2/c1-9-4-6-12(7-5-9)10(2)8-14-11(3)13/h4,8,12H,5-7H2,1-3H3
InChI Key:
CKITWLJZALNJDV-UHFFFAOYSA-N
SMILES:
CC(=O)OC=C(C1CCC(=CC1)C)C
EC Number:
239-672-7
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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