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Home > Other Heterocycles > 10276-21-8
10276-21-8 | 7-Oxabicyclo[4.1.0]heptan-2-one, 4,4,6-trimethyl-
CAS No: 10276-21-8 Catalog No: AG0008B8 MDL No:MFCD00085465
Product Description
Catalog Number:
AG0008B8
Chemical Name:
7-Oxabicyclo[4.1.0]heptan-2-one, 4,4,6-trimethyl-
CAS Number:
10276-21-8
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
MDL Number:
MFCD00085465
IUPAC Name:
4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one
InChI:
InChI=1S/C9H14O2/c1-8(2)4-6(10)7-9(3,5-8)11-7/h7H,4-5H2,1-3H3
InChI Key:
ROTNQFPVXVZSRL-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC2(C1O2)C
NSC Number:
63367
Properties
Complexity:
220
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:
29.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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