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4971-55-5 | 3-CHLORO-2,4(3H,5H)-FURANDIONE
CAS No: 4971-55-5 Catalog No: AG003J6D MDL No:MFCD00134273
Product Description
Catalog Number:
AG003J6D
Chemical Name:
3-CHLORO-2,4(3H,5H)-FURANDIONE
CAS Number:
4971-55-5
Molecular Formula:
C4H3ClO3
Molecular Weight:
134.5178
MDL Number:
MFCD00134273
IUPAC Name:
3-chlorooxolane-2,4-dione
InChI:
InChI=1S/C4H3ClO3/c5-3-2(6)1-8-4(3)7/h3H,1H2
InChI Key:
DJEJYZZJYYNADA-UHFFFAOYSA-N
SMILES:
ClC1C(=O)COC1=O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.977g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.515g/mol
Monoisotopic Mass:
133.977g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| 3-Chloro-4-hydroxy-furan-2(5H)-one. | Acta crystallographica. Section E, Structure reports online 20090801 |
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