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6914-67-6

6914-67-6 | 1,5-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione

CAS No: 6914-67-6 Catalog No: AG005X92 MDL No:

Product Description

Catalog Number:
AG005X92
Chemical Name:
1,5-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione
CAS Number:
6914-67-6
Molecular Formula:
C7H8O3
Molecular Weight:
140.1366
IUPAC Name:
1,5-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione
InChI:
InChI=1S/C7H8O3/c1-6-3-7(6,2)5(9)10-4(6)8/h3H2,1-2H3
InChI Key:
BMUKYPDUFGPXEL-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2(C1(C)C2)C
NSC Number:
167992

Properties

Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.047g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.138g/mol
Monoisotopic Mass:
140.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

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