5,9-Methano-1H-pyrano[3,4-d]oxepin-1,3,6,8(4H)-tetrone, tetrahydro-


Chemical Name: 5,9-Methano-1H-pyrano[3,4-d]oxepin-1,3,6,8(4H)-tetrone, tetrahydro-
CAS Number: 6053-46-9
Product Number: AG00EB2K(AGN-PC-03MNE7)
Synonyms:
MDL No:
Molecular Formula: C10H8O6
Molecular Weight: 224.1669

Identification/Properties


Computed Properties
Molecular Weight:
224.168g/mol
XLogP3:
-0.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
0
Exact Mass:
224.032g/mol
Monoisotopic Mass:
224.032g/mol
Topological Polar Surface Area:
86.7A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
425
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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