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Home > Other Heterocycles > 113567-94-5
113567-94-5 | 1,2-Dioxaspiro[2.5]octa-4,7-dien-6-one
CAS No: 113567-94-5 Catalog No: AG00090K MDL No:
Product Description
Catalog Number:
AG00090K
Chemical Name:
1,2-Dioxaspiro[2.5]octa-4,7-dien-6-one
CAS Number:
113567-94-5
Molecular Formula:
C6H4O3
Molecular Weight:
124.0942
IUPAC Name:
1,2-dioxaspiro[2.5]octa-4,7-dien-6-one
InChI:
InChI=1S/C6H4O3/c7-5-1-3-6(4-2-5)8-9-6/h1-4H
InChI Key:
YOECOMWCIJCEFG-UHFFFAOYSA-N
SMILES:
O=C1C=CC2(C=C1)OO2
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.016g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.095g/mol
Monoisotopic Mass:
124.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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