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16782-30-2 | Cyclooctanepropanol
CAS No: 16782-30-2 Catalog No: AG001XN8 MDL No:
Product Description
Catalog Number:
AG001XN8
Chemical Name:
Cyclooctanepropanol
CAS Number:
16782-30-2
Molecular Formula:
C11H22O
Molecular Weight:
170.2918
IUPAC Name:
3-cyclooctylpropan-1-ol
InChI:
InChI=1S/C11H22O/c12-10-6-9-11-7-4-2-1-3-5-8-11/h11-12H,1-10H2
InChI Key:
JJMLCEXBCWMAQR-UHFFFAOYSA-N
SMILES:
OCCCC1CCCCCCC1
Properties
Complexity:
93.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.167g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.296g/mol
Monoisotopic Mass:
170.167g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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