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Home > Other Heterocycles > 4925-71-7
4925-71-7 | CIS-9-OXABICYCLO[6.1.0]NONANE
CAS No: 4925-71-7 Catalog No: AG00712D MDL No:
Product Description
Catalog Number:
AG00712D
Chemical Name:
CIS-9-OXABICYCLO[6.1.0]NONANE
CAS Number:
4925-71-7
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
(1R,8S)-9-oxabicyclo[6.1.0]nonane
InChI:
InChI=1S/C8H14O/c1-2-4-6-8-7(9-8)5-3-1/h7-8H,1-6H2/t7-,8+
InChI Key:
MELPJGOMEMRMPL-OCAPTIKFSA-N
SMILES:
C1CCC[C@H]2[C@@H](CC1)O2
EC Number:
225-554-2
Properties
Complexity:
88.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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