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20328-66-9 | Ethanone, 1-(2-furanyl)-2,2-dihydroxy-
CAS No: 20328-66-9 Catalog No: AG0028S1 MDL No:MFCD05864645
Product Description
Catalog Number:
AG0028S1
Chemical Name:
Ethanone, 1-(2-furanyl)-2,2-dihydroxy-
CAS Number:
20328-66-9
Molecular Formula:
C6H6O4
Molecular Weight:
142.1094
MDL Number:
MFCD05864645
IUPAC Name:
1-(furan-2-yl)-2,2-dihydroxyethanone
InChI:
InChI=1S/C6H6O4/c7-5(6(8)9)4-2-1-3-10-4/h1-3,6,8-9H
InChI Key:
NALZOZFDXIXENZ-UHFFFAOYSA-N
SMILES:
OC(C(=O)c1ccco1)O
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.027g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
142.11g/mol
Monoisotopic Mass:
142.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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