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3-O-Ethyl-L-Ascorbic Acid

CAT: 1489-O8430-03Size: 100 gDry Ice: NoHazardous: No
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CAT#:1489-O8430-03Size:100 g
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CAS Number
86404-04-8
Purity
0.98

Chemical Information

3-O-Ethylascorbic acid

3-O-Ethylascorbic acid is a butenolide.

CAS Number86404-04-8
PubChem CID150736
IUPAC Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-ethoxy-4-hydroxy-2H-furan-5-one
Molecular FormulaC8H12O6
Molecular Weight204.18
XLogP-1.5
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity259
SMILES
CCOC1=C(C(=O)O[C@@H]1[C@H](CO)O)O
InChI
InChI=1S/C8H12O6/c1-2-13-7-5(11)8(12)14-6(7)4(10)3-9/h4,6,9-11H,2-3H2,1H3/t4-,6+/m0/s1
InChIKey
ZGSCRDSBTNQPMS-UJURSFKZSA-N
Chemical Structure
2D Structure
2D structure of 3-O-Ethylascorbic acid
CAS: 86404-04-8
CID: 150736
Formula: C8H12O6
MW: 204.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight204.18
XLogP3-1.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass204.06338810
Monoisotopic Mass204.06338810
Topological Polar Surface Area96.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity259
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes