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10054-74-7 | 2,5-Cyclooctadien-1-ol
CAS No: 10054-74-7 Catalog No: AG0002AM MDL No:
Product Description
Catalog Number:
AG0002AM
Chemical Name:
2,5-Cyclooctadien-1-ol
CAS Number:
10054-74-7
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
cycloocta-2,5-dien-1-ol
InChI:
InChI=1S/C8H12O/c9-8-6-4-2-1-3-5-7-8/h1-2,5,7-9H,3-4,6H2
InChI Key:
GAJWLWOIFZSYOW-UHFFFAOYSA-N
SMILES:
OC1CCC=CCC=C1
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:
1.7
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