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14478-13-8 | 1-Cycloocten-1-ol, 1-acetate
CAS No: 14478-13-8 Catalog No: AG001K66 MDL No:
Product Description
Catalog Number:
AG001K66
Chemical Name:
1-Cycloocten-1-ol, 1-acetate
CAS Number:
14478-13-8
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
acetic acid;cycloocten-1-ol
InChI:
InChI=1S/C8H14O.C2H4O2/c9-8-6-4-2-1-3-5-7-8;1-2(3)4/h6,9H,1-5,7H2;1H3,(H,3,4)
InChI Key:
ZIVQBBMZDTYJBD-UHFFFAOYSA-N
SMILES:
CC(=O)OC1=CCCCCCC1
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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