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sodium 1-(prop-2-enoyl)piperidine-4-carboxylate

sodium 1-(prop-2-enoyl)piperidine-4-carboxylate

CAS: 1423031-89-3

Formula: C9H12NNaO3

SMILES: [Na+].[O-]C(=O)C1CCN(CC1)C(=O)C=C

IUPAC: sodium 1-(prop-2-enoyl)piperidine-4-carboxylate

InChI: InChI=1S/C9H13NO3.Na/c1-2-8(11)10-5-3-7(4-6-10)9(12)13;/h2,7H,1,3-6H2,(H,12,13);/q;+1/p-1

Composition: C (52.68%), H (5.90%), N (6.83%), Na (11.20%), O (23.39%)

Molar Mass: 205.189

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 205.07148753
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey ZKHKNPJXQZZEAI-UHFFFAOYSA-M
Lipinski's Rule of Five 1
Molar Refractivity 58.13
Topological Polar Surface Area 60.44
Polarizability 18
Ring Count 1
Rotatable Bond Count 2

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95% <5 Days 1423031-89-3 $18.92-$133.67$18.92$30.26$50.44$133.67
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