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2-Ethylacrolein

CAS No.:
922-63-4
Catalog Number:
AG0033AP
Molecular Formula:
C5H8O
Molecular Weight:
84.1164
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Product Description
Catalog Number:
AG0033AP
Chemical Name:
2-Ethylacrolein
CAS Number:
922-63-4
Molecular Formula:
C5H8O
Molecular Weight:
84.1164
MDL Number:
MFCD00010129
IUPAC Name:
2-methylidenebutanal
InChI:
InChI=1S/C5H8O/c1-3-5(2)4-6/h4H,2-3H2,1H3
InChI Key:
GMLDCZYTIPCVMO-UHFFFAOYSA-N
SMILES:
CCC(=C)C=O
EC Number:
213-079-3
Properties
Complexity:
64.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
84.058g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
84.118g/mol
Monoisotopic Mass:
84.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Release of volatile organic compounds (VOCs) from the lung cancer cell line CALU-1 in vitro. Cancer cell international 20080101
An efficient approach to Aspidosperma alkaloids via [4 + 2] cycloadditions of aminosiloxydienes: stereocontrolled total synthesis of (+/-)-tabersonine. Gram-scale catalytic asymmetric syntheses of (+)-tabersonine and (+)-16-methoxytabersonine. Asymmetric syntheses of (+)-aspidospermidine and (-)-quebrachamine. Journal of the American Chemical Society 20020501
The influence of the solvents DMSO and ethanol on the genotoxicity of alpha,beta-unsaturated aldehydes in the SOS chromotest. Mutation research 20020426
Mutagenicity of 2-alkylpropenals in Salmonella typhimurium strain TA 100: structural influences. Environmental and molecular mutagenesis 20010101
Properties