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Home > Other Heterocycles > 141316-18-9
141316-18-9 | 2-Oxabicyclo[4.1.1]octan-3-one, 7,7-dimethyl-, (1R,6S)-
CAS No: 141316-18-9 Catalog No: AG001G6O MDL No:
Product Description
Catalog Number:
AG001G6O
Chemical Name:
2-Oxabicyclo[4.1.1]octan-3-one, 7,7-dimethyl-, (1R,6S)-
CAS Number:
141316-18-9
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
7,7-dimethyl-2-oxabicyclo[4.1.1]octan-3-one
InChI:
InChI=1S/C9H14O2/c1-9(2)6-3-4-8(10)11-7(9)5-6/h6-7H,3-5H2,1-2H3
InChI Key:
LRDZFEMYVRONSU-UHFFFAOYSA-N
SMILES:
O=C1CC[C@H]2C[C@@H](O1)C2(C)C
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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