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Home Other Building Blocks 2-Pentenoicacid,2-propyl-,(2E)-

2-Pentenoicacid,2-propyl-,(2E)-

CAS No.:
33786-47-9
Catalog Number:
AG003HU4
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
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Product Description
Catalog Number:
AG003HU4
Chemical Name:
2-Pentenoicacid,2-propyl-,(2E)-
CAS Number:
33786-47-9
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
MDL Number:
MFCD00801107
IUPAC Name:
2-propylpent-2-enoic acid
InChI:
InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h5H,3-4,6H2,1-2H3,(H,9,10)
InChI Key:
ZKNJEOBYOLUGKJ-UHFFFAOYSA-N
SMILES:
CCC/C(=C\CC)/C(=O)O
Properties
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.4  
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
Science review: carnitine in the treatment of valproic acid-induced toxicity - what is the evidence? Critical care (London, England) 20050101
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
Properties