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125974-08-5 | 2(5H)-Furanone, 3-chloro-4-(chloromethyl)-5-hydroxy-
CAS No: 125974-08-5 Catalog No: AG000QMN MDL No:
Product Description
Catalog Number:
AG000QMN
Chemical Name:
2(5H)-Furanone, 3-chloro-4-(chloromethyl)-5-hydroxy-
CAS Number:
125974-08-5
Molecular Formula:
C5H4Cl2O3
Molecular Weight:
182.9895
IUPAC Name:
4-chloro-3-(chloromethyl)-2-hydroxy-2H-furan-5-one
InChI:
InChI=1S/C5H4Cl2O3/c6-1-2-3(7)5(9)10-4(2)8/h4,8H,1H2
InChI Key:
WDEQLMYIIXBHTJ-UHFFFAOYSA-N
SMILES:
ClCC1=C(Cl)C(=O)OC1O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.954g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.984g/mol
Monoisotopic Mass:
181.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Altered expression of connexin43 in the inhibition of gap junctional intercellular communication by chlorohydroxyfuranones in WB-F344 rat liver epithelial cells. | Toxicology and applied pharmacology 20060415 |
| Bacterial and mammalian-cell genotoxicity of mixtures of chlorohydroxyfuranones, by-products of water chlorination. | Environmental and molecular mutagenesis 20040101 |
| Effects of chlorohydroxyfuranones on 3-methylcholanthrene-induced neoplastic transformation in the two-stage transformation assay in C3H 10T1/2 cells. | Archives of toxicology 20031001 |
| Gas chromatographic-mass spectrometric method for quantification of 3-chloro-4-(dichloromethyl)-5-hydroxy-2[5H]-furanone in chlorinated water samples. | Journal of chromatography. A 20021004 |
| Application of sec-butanol to the derivatization of hydroxyfuranones. | Journal of AOAC International 20010101 |
| Comparable DNA and chromosome damage in Chinese hamster ovary cells by chlorohydroxyfuranones. | Environmental and molecular mutagenesis 20010101 |
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