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sodium 2-(hydrogen phosphonatooxy)prop-2-enoic acid

sodium 2-(hydrogen phosphonatooxy)prop-2-enoic acid

CAS: 53823-68-0

Formula: C3H4NaO6P

SMILES: [Na+].OC(=O)C(=C)OP(O)([O-])=O

IUPAC: sodium 2-(hydrogen phosphonatooxy)prop-2-enoic acid

InChI: InChI=1S/C3H5O6P.Na/c1-2(3(4)5)9-10(6,7)8;/h1H2,(H,4,5)(H2,6,7,8);/q;+1/p-1

Composition: C (18.96%), H (2.12%), Na (12.10%), O (50.52%), P (16.30%)

Molar Mass: 190.023

Atom Count: 15

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 189.96431913
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey NESXXUAWVHXRGX-UHFFFAOYSA-M
Lipinski's Rule of Five 1
Molar Refractivity 29.01
Topological Polar Surface Area 106.89
Polarizability 11.83
Ring Count 0
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 53823-68-0 $163.30-$699.20$163.30$189.75$341.55$699.20
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