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Home > Other Heterocycles > 17421-93-1
17421-93-1 | 7-Oxabicyclo[4.1.0]heptan-2-one, 4,4-dimethyl-
CAS No: 17421-93-1 Catalog No: AG001ZIN MDL No:MFCD18633179
Product Description
Catalog Number:
AG001ZIN
Chemical Name:
7-Oxabicyclo[4.1.0]heptan-2-one, 4,4-dimethyl-
CAS Number:
17421-93-1
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
MDL Number:
MFCD18633179
IUPAC Name:
4,4-dimethyl-7-oxabicyclo[4.1.0]heptan-2-one
InChI:
InChI=1S/C8H12O2/c1-8(2)3-5(9)7-6(4-8)10-7/h6-7H,3-4H2,1-2H3
InChI Key:
XBBJOEVBOOBEBG-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC2C1O2
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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