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Home > Other Heterocycles > 14087-71-9
14087-71-9 | 3-Oxabicyclo[4.1.0]heptan-2-one, 4,4,7,7-tetramethyl-, (1S-cis)- (9CI)
CAS No: 14087-71-9 Catalog No: AG001CY9 MDL No:
Product Description
Catalog Number:
AG001CY9
Chemical Name:
3-Oxabicyclo[4.1.0]heptan-2-one, 4,4,7,7-tetramethyl-, (1S-cis)- (9CI)
CAS Number:
14087-71-9
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
4,4,7,7-tetramethyl-3-oxabicyclo[4.1.0]heptan-2-one
InChI:
InChI=1S/C10H16O2/c1-9(2)5-6-7(8(11)12-9)10(6,3)4/h6-7H,5H2,1-4H3
InChI Key:
XAKBEOUVVTWXNF-UHFFFAOYSA-N
SMILES:
O=C1OC(C)(C)C[C@@H]2[C@H]1C2(C)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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