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Home > Other Heterocycles > 72657-57-9
72657-57-9 | Bicyclo[5.1.0]octan-2-ol
CAS No: 72657-57-9 Catalog No: AG005Q5Y MDL No:
Product Description
Catalog Number:
AG005Q5Y
Chemical Name:
Bicyclo[5.1.0]octan-2-ol
CAS Number:
72657-57-9
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
bicyclo[5.1.0]octan-2-ol
InChI:
InChI=1S/C8H14O/c9-8-4-2-1-3-6-5-7(6)8/h6-9H,1-5H2
InChI Key:
HDHAVKJPOAAKFE-UHFFFAOYSA-N
SMILES:
OC1CCCCC2C1C2
NSC Number:
249263
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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