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Home > Other Heterocycles > 139346-65-9
139346-65-9 | 10-Oxabicyclo[7.1.0]decane, (1R,9S)-rel-
CAS No: 139346-65-9 Catalog No: AG001AT2 MDL No:
Product Description
Catalog Number:
AG001AT2
Chemical Name:
10-Oxabicyclo[7.1.0]decane, (1R,9S)-rel-
CAS Number:
139346-65-9
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
IUPAC Name:
(1S,9R)-10-oxabicyclo[7.1.0]decane
InChI:
InChI=1S/C9H16O/c1-2-4-6-8-9(10-8)7-5-3-1/h8-9H,1-7H2/t8-,9+
InChI Key:
REXZYVQYOOPWQD-DTORHVGOSA-N
SMILES:
C1CCCC[C@@H]2[C@H](CC1)O2
Properties
Complexity:
99.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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