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Home > Other Heterocycles > 89590-43-2
89590-43-2 | 3-Oxabicyclo[4.1.0]heptan-2-one, 1-hydroxy-4,4,7,7-tetramethyl-
CAS No: 89590-43-2 Catalog No: AG003Z34 MDL No:
Product Description
Catalog Number:
AG003Z34
Chemical Name:
3-Oxabicyclo[4.1.0]heptan-2-one, 1-hydroxy-4,4,7,7-tetramethyl-
CAS Number:
89590-43-2
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
IUPAC Name:
1-hydroxy-4,4,7,7-tetramethyl-3-oxabicyclo[4.1.0]heptan-2-one
InChI:
InChI=1S/C10H16O3/c1-8(2)5-6-9(3,4)10(6,12)7(11)13-8/h6,12H,5H2,1-4H3
InChI Key:
WHJYGWLVTHVJRE-UHFFFAOYSA-N
SMILES:
O=C1OC(C)(C)CC2C1(O)C2(C)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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