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69827-64-1 | 2-Pentenoic acid,2-propyl-, sodium salt (1:1)
CAS No: 69827-64-1 Catalog No: AG0036NR MDL No:
Product Description
Catalog Number:
AG0036NR
Chemical Name:
2-Pentenoic acid,2-propyl-, sodium salt (1:1)
CAS Number:
69827-64-1
Molecular Formula:
C8H13NaO2
Molecular Weight:
164.1774
IUPAC Name:
sodium;(E)-2-propylpent-2-enoate
InChI:
InChI=1S/C8H14O2.Na/c1-3-5-7(6-4-2)8(9)10;/h5H,3-4,6H2,1-2H3,(H,9,10);/q;+1/p-1/b7-5+;
InChI Key:
OTCQEYNPLHOZTK-GZOLSCHFSA-M
SMILES:
CCC/C(=C/CC)/C(=O)[O-].[Na+]
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
164.081g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.18g/mol
Monoisotopic Mass:
164.081g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Pyruvate uptake is inhibited by valproic acid and metabolites in mitochondrial membranes. | FEBS letters 20081015 |
| Histone deacetylases inhibition and tumor cells cytotoxicity by CNS-active VPA constitutional isomers and derivatives. | Biochemical pharmacology 20050515 |
| Differential effect of valproate and its Delta2- and Delta4-unsaturated metabolites, on the beta-oxidation rate of long-chain and medium-chain fatty acids. | Chemico-biological interactions 20010928 |
| Comparative evaluation of anticonvulsant and toxic potencies of valproic acid and 2-en-valproic acid in different animal models of epilepsy. | European journal of pharmacology 19840323 |
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