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123532-30-9 | 1-Cyclohexen-1-ol, 2-(2-propen-1-yl)-, 1-propanoate
CAS No: 123532-30-9 Catalog No: AG000KR0 MDL No:
Product Description
Catalog Number:
AG000KR0
Chemical Name:
1-Cyclohexen-1-ol, 2-(2-propen-1-yl)-, 1-propanoate
CAS Number:
123532-30-9
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
propanoic acid;2-prop-2-enylcyclohexen-1-ol
InChI:
InChI=1S/C9H14O.C3H6O2/c1-2-5-8-6-3-4-7-9(8)10;1-2-3(4)5/h2,10H,1,3-7H2;2H2,1H3,(H,4,5)
InChI Key:
KZMXMKHCVLQVPF-UHFFFAOYSA-N
SMILES:
C=CCC1=C(CCCC1)OC(=O)CC
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.141g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.289g/mol
Monoisotopic Mass:
212.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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