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85866-03-1 | CYCLOOCTANE-1,2,3-TRIOL
CAS No: 85866-03-1 Catalog No: AG004R4E MDL No:
Product Description
Catalog Number:
AG004R4E
Chemical Name:
CYCLOOCTANE-1,2,3-TRIOL
CAS Number:
85866-03-1
Molecular Formula:
C8H16O3
Molecular Weight:
160.2108
IUPAC Name:
cyclooctane-1,2,3-triol
InChI:
InChI=1S/C8H16O3/c9-6-4-2-1-3-5-7(10)8(6)11/h6-11H,1-5H2
InChI Key:
JABDUNXUMGVHJU-UHFFFAOYSA-N
SMILES:
OC1C(O)CCCCCC1O
EC Number:
288-705-1
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
160.213g/mol
Monoisotopic Mass:
160.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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