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208725-89-7 | Acetic acid, 2-(dihydro-2,5-dioxo-3(2H)-furanylidene)-, (2E)-
CAS No: 208725-89-7 Catalog No: AG002JV0 MDL No:
Product Description
Catalog Number:
AG002JV0
Chemical Name:
Acetic acid, 2-(dihydro-2,5-dioxo-3(2H)-furanylidene)-, (2E)-
CAS Number:
208725-89-7
Molecular Formula:
C6H4O5
Molecular Weight:
156.0930
IUPAC Name:
2-(2,5-dioxooxolan-3-ylidene)acetic acid
InChI:
InChI=1S/C6H4O5/c7-4(8)1-3-2-5(9)11-6(3)10/h1H,2H2,(H,7,8)
InChI Key:
IWBAVDAIMLGBEK-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)/C(=C/C(=O)O)/C1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.006g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.093g/mol
Monoisotopic Mass:
156.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.7
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