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Lithium β-hydroxypyruvate hydrate

CAT: 0926-FL183622-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-FL183622-01Size:1 g
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CAS Number
3369-79-7
MDL Number
MFCD10567214
Molecular Formula
C3H3O4•Li• (H2O) x
Molecular Weight
111 g/mol
Controlled
No

Chemical Information

Hydroxypyruvic acid, lithium salt
CAS Number3369-79-7
PubChem CID23675243
IUPAC Namelithium 3-hydroxy-2-oxopropanoate
Molecular FormulaC3H3LiO4
Molecular Weight110.0
Topological Polar Surface Area77.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity99
SMILES
[Li+].C(C(=O)C(=O)[O-])O
InChI
InChI=1S/C3H4O4.Li/c4-1-2(5)3(6)7;/h4H,1H2,(H,6,7);/q;+1/p-1
InChIKey
ODTOYBROCWIQFM-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Hydroxypyruvic acid, lithium salt
CAS: 3369-79-7
CID: 23675243
Formula: C3H3LiO4
MW: 110.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight110.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass110.01913701
Monoisotopic Mass110.01913701
Topological Polar Surface Area77.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity99.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes