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79821-07-1 | 2(5H)-Furanone, 5-(4-chlorophenyl)-3,4-dihydroxy-
CAS No: 79821-07-1 Catalog No: AG005GZS MDL No:
Product Description
Catalog Number:
AG005GZS
Chemical Name:
2(5H)-Furanone, 5-(4-chlorophenyl)-3,4-dihydroxy-
CAS Number:
79821-07-1
Molecular Formula:
C10H7ClO4
Molecular Weight:
226.6132
IUPAC Name:
2-(4-chlorophenyl)-3,4-dihydroxy-2H-furan-5-one
InChI:
InChI=1S/C10H7ClO4/c11-6-3-1-5(2-4-6)9-7(12)8(13)10(14)15-9/h1-4,9,12-13H
InChI Key:
RRYHMAJCXCIJCC-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C1OC(=O)C(=C1O)O
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.003g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.612g/mol
Monoisotopic Mass:
226.003g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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