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125974-07-4 | 2(5H)-Furanone, 4-(dichloromethyl)-5-hydroxy-
CAS No: 125974-07-4 Catalog No: AG000QMO MDL No:
Product Description
Catalog Number:
AG000QMO
Chemical Name:
2(5H)-Furanone, 4-(dichloromethyl)-5-hydroxy-
CAS Number:
125974-07-4
Molecular Formula:
C5H4Cl2O3
Molecular Weight:
182.9895
IUPAC Name:
3-(dichloromethyl)-2-hydroxy-2H-furan-5-one
InChI:
InChI=1S/C5H4Cl2O3/c6-4(7)2-1-3(8)10-5(2)9/h1,4-5,9H
InChI Key:
CKSHQVJFMXYYHV-UHFFFAOYSA-N
SMILES:
ClC(C1=CC(=O)OC1O)Cl
Properties
Complexity:
187
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:
0.3
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