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Tiglic acid

CAS No.:
80-59-1
Catalog Number:
AG0035P7
Molecular Formula:
C5H8O2
Molecular Weight:
100.1158
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
99%(GC)
In Stock USA
United States
$39
- +
5g
99%(GC)
In Stock USA
United States
$48
- +
25g
99%(GC)
In Stock USA
United States
$76
- +
Product Description
Catalog Number:
AG0035P7
Chemical Name:
Tiglic acid
CAS Number:
80-59-1
Molecular Formula:
C5H8O2
Molecular Weight:
100.1158
MDL Number:
MFCD00066864
IUPAC Name:
(E)-2-methylbut-2-enoic acid
InChI:
InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+
InChI Key:
UIERETOOQGIECD-ONEGZZNKSA-N
SMILES:
C/C(=C\C)/C(=O)O
UNII:
I5792N03HC
FEMA Number:
3599
UN Number:
3261
Properties
Complexity:
103  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
100.052g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
100.117g/mol
Monoisotopic Mass:
100.052g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Selective orthosteric free fatty acid receptor 2 (FFA2) agonists: identification of the structural and chemical requirements for selective activation of FFA2 versus FFA3. The Journal of biological chemistry 20110325
Tiglicamides A-C, cyclodepsipeptides from the marine cyanobacterium Lyngbya confervoides. Phytochemistry 20091201
Largamides A-C, tiglic acid-containing cyclodepsipeptides with elastase-inhibitory activity from the marine cyanobacterium Lyngbya confervoides. Planta medica 20090401
Supramolecular solids as a medium for single-crystal-to-single-crystal E/Z photoisomerization: kinetic study of the photoreactions of two Zn-coordinated tiglic acid molecules. Chemistry (Weinheim an der Bergstrasse, Germany) 20080101
Biosynthesis of tiglic, ethacrylic, and 2-methylbutyric acids in a carabid beetle, Pterostichus (Hypherpes) californicus. Journal of chemical ecology 20070501
The chemical constituents of Ligularia pleurocaulis. Yao xue xue bao = Acta pharmaceutica Sinica 20050601
Inhibition of mitochondrial creatine kinase activity from rat cerebral cortex by methylmalonic acid. Neurochemistry international 20041001
Synthesis of flavor and fragrance esters using Candida antarctica lipase. Applied microbiology and biotechnology 20040901
Defensive chemicals of two species of Trachypachus Motschulski. Journal of chemical ecology 20040301
Subchronic oral toxicity study on the three flavouring substances: octan-3-ol, 2-methylcrotonic acid and oct-3-yl 2-methylcrotonate in Wistar rats. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20030501
[Constituents of Liguliria vellerea (Franch.) Hand-Mazz]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20011201
Properties