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2-Butenoic acid

CAS No.:
3724-65-0
Catalog Number:
AG0037KT
Molecular Formula:
C4H6O2
Molecular Weight:
86.0892
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Product Description
Catalog Number:
AG0037KT
Chemical Name:
2-Butenoic acid
CAS Number:
3724-65-0
Molecular Formula:
C4H6O2
Molecular Weight:
86.0892
MDL Number:
MFCD00002701
IUPAC Name:
(E)-but-2-enoic acid
InChI:
InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
InChI Key:
LDHQCZJRKDOVOX-NSCUHMNNSA-N
SMILES:
CC=CC(=O)O
UNII:
YW5WZZ4O5Q
NSC Number:
8751
FEMA Number:
3908
RTECS Number:
GQ2800000
UN Number:
2823
Properties
Complexity:
73.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
86.037g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
86.09g/mol
Monoisotopic Mass:
86.037g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Effective removal of heavy metal ions Cd2+, Zn2+, Pb2+, Cu2+ from aqueous solution by polymer-modified magnetic nanoparticles. Journal of hazardous materials 20120415
Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A). Bioorganic & medicinal chemistry letters 20110501
Contribution of cinnamic acid analogues in rosmarinic acid to inhibition of snake venom induced hemorrhage. Bioorganic & medicinal chemistry 20110401
Identification of the toxic trigger in mushroom poisoning. Nature chemical biology 20090701
Properties