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Home > Other Heterocycles > 54885-06-2
54885-06-2 | 3,8-dioxabicyclo[3.2.1]octane-2,4-dione
CAS No: 54885-06-2 Catalog No: AG01AFYF MDL No:MFCD27959371
Product Description
Catalog Number:
AG01AFYF
Chemical Name:
3,8-dioxabicyclo[3.2.1]octane-2,4-dione
CAS Number:
54885-06-2
Molecular Formula:
C6H6O4
Molecular Weight:
142.1094
MDL Number:
MFCD27959371
IUPAC Name:
3,8-dioxabicyclo[3.2.1]octane-2,4-dione
InChI:
InChI=1S/C6H6O4/c7-5-3-1-2-4(9-3)6(8)10-5/h3-4H,1-2H2
InChI Key:
BGKUPEWYMBTCJC-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2OC1CC2
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.027g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.11g/mol
Monoisotopic Mass:
142.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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