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1575-54-8 | 2(5H)-Furanone, 5-hydroxy-3,4-dimethyl-
CAS No: 1575-54-8 Catalog No: AG001PHB MDL No:
Product Description
Catalog Number:
AG001PHB
Chemical Name:
2(5H)-Furanone, 5-hydroxy-3,4-dimethyl-
CAS Number:
1575-54-8
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
IUPAC Name:
2-hydroxy-3,4-dimethyl-2H-furan-5-one
InChI:
InChI=1S/C6H8O3/c1-3-4(2)6(8)9-5(3)7/h5,7H,1-2H3
InChI Key:
NVXHBLAEBCZZHH-UHFFFAOYSA-N
SMILES:
OC1OC(=O)C(=C1C)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.047g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.127g/mol
Monoisotopic Mass:
128.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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