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sodium phenylpyruvate

sodium phenylpyruvate

CAS: 114-76-1

Formula: C9H8NaO3

SMILES: [Na+].CC(=O)C(=O)OC1=CC=CC=C1

IUPAC: sodium phenyl 2-oxopropanoate

InChI: InChI=1S/C9H8O3.Na/c1-7(10)9(11)12-8-5-3-2-4-6-8;/h2-6H,1H3;/q;+1

Composition: C (57.76%), H (4.31%), Na (12.28%), O (25.65%)

Molar Mass: 187.149

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 187.03656482
Formal Charge 1
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ALCAPHRPWSLHRA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.54
Topological Polar Surface Area 43.37
Polarizability 16.68
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS UnitPrice
99% <10 Days 114-76-1 Quote Only