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10095-82-6 | 2,4-Cyclooctadien-1-ol, 1-acetate
CAS No: 10095-82-6 Catalog No: AG0003AB MDL No:
Product Description
Catalog Number:
AG0003AB
Chemical Name:
2,4-Cyclooctadien-1-ol, 1-acetate
CAS Number:
10095-82-6
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
acetic acid;cycloocta-2,4-dien-1-ol
InChI:
InChI=1S/C8H12O.C2H4O2/c9-8-6-4-2-1-3-5-7-8;1-2(3)4/h1-2,4,6,8-9H,3,5,7H2;1H3,(H,3,4)
InChI Key:
VOXQBOJJTXZSRY-UHFFFAOYSA-N
SMILES:
CC(=O)OC1CCCC=CC=C1
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
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