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10095-79-1 | 3,5-Cyclooctadien-1-ol
CAS No: 10095-79-1 Catalog No: AG0003AC MDL No:
Product Description
Catalog Number:
AG0003AC
Chemical Name:
3,5-Cyclooctadien-1-ol
CAS Number:
10095-79-1
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
cycloocta-3,5-dien-1-ol
InChI:
InChI=1S/C8H12O/c9-8-6-4-2-1-3-5-7-8/h1-4,8-9H,5-7H2
InChI Key:
SKIAGJWDPJOZMZ-UHFFFAOYSA-N
SMILES:
OC1CCC=CC=CC1
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
1.9
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