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Home > Other Heterocycles > 754147-29-0
754147-29-0 | 3,6-Dioxabicyclo[3.1.0]hexan-2-one
CAS No: 754147-29-0 Catalog No: AG005LFT MDL No:
Product Description
Catalog Number:
AG005LFT
Chemical Name:
3,6-Dioxabicyclo[3.1.0]hexan-2-one
CAS Number:
754147-29-0
Molecular Formula:
C4H4O3
Molecular Weight:
100.0728
IUPAC Name:
3,6-dioxabicyclo[3.1.0]hexan-2-one
InChI:
InChI=1S/C4H4O3/c5-4-3-2(7-3)1-6-4/h2-3H,1H2
InChI Key:
ZEHAHQNJTOLTDB-UHFFFAOYSA-N
SMILES:
O=C1OCC2C1O2
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.016g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
100.073g/mol
Monoisotopic Mass:
100.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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