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10017-18-2 | 2,6-Cyclooctadien-1-ol
CAS No: 10017-18-2 Catalog No: AG00015P MDL No:
Product Description
Catalog Number:
AG00015P
Chemical Name:
2,6-Cyclooctadien-1-ol
CAS Number:
10017-18-2
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
cycloocta-2,6-dien-1-ol
InChI:
InChI=1S/C8H12O/c9-8-6-4-2-1-3-5-7-8/h2,4-5,7-9H,1,3,6H2
InChI Key:
FRIHCVHTOVWRBC-UHFFFAOYSA-N
SMILES:
OC1CC=CCCC=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:
1.6
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