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sodium 2-[3-(3,4-dimethoxyphenyl)prop-2-enamido]benzoate

sodium 2-[3-(3,4-dimethoxyphenyl)prop-2-enamido]benzoate

CAS: 104931-56-8

Formula: C18H16NNaO5

SMILES: [Na+].COC1=C(OC)C=C(C=CC(=O)NC2=C(C=CC=C2)C([O-])=O)C=C1

IUPAC: sodium 2-[3-(3,4-dimethoxyphenyl)prop-2-enamido]benzoate

InChI: InChI=1S/C18H17NO5.Na/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22;/h3-11H,1-2H3,(H,19,20)(H,21,22);/q;+1/p-1

Composition: C (61.89%), H (4.62%), N (4.01%), Na (6.58%), O (22.90%)

Molar Mass: 349.318

Atom Count: 41

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 349.0926169
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey KZGHWWBBHZLTTA-UHFFFAOYSA-M
Lipinski's Rule of Five 1
Molar Refractivity 102.36
Topological Polar Surface Area 87.69
Polarizability 33.69
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS UnitPrice
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97% <2 Days 104931-56-8 $49.16-$69.92$49.16$57.90$69.92
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