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42588-57-8,MFCD00006975
Catalog No.:AA003JB3
42588-57-8 | (2Z)-3-Ethoxy-2-methylacrylaldehyde
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  • Technical Information
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Technical Information
Catalog Number:
AA003JB3
Chemical Name:
(2Z)-3-Ethoxy-2-methylacrylaldehyde
CAS Number:
42588-57-8
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD00006975
IUPAC Name:
(E)-3-ethoxy-2-methylprop-2-enal
InChI:
InChI=1S/C6H10O2/c1-3-8-5-6(2)4-7/h4-5H,3H2,1-2H3/b6-5+
InChI Key:
KDOAHVPFGIYCEU-AATRIKPKSA-N
SMILES:
C/C(=C/OCC)/C=O
EC Number:
255-899-4
Properties
Computed Properties
 
Complexity:
94.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Synonyms
 
3-Ethoxymethacrolein 
42588-57-8 
AC1Q31NL 
3-Ethoxymethacrolein, 96% 
(E)-2-Methyl-3-ethoxypropenal 
2-Propenal, 3-ethoxy-2-methyl- 
ZINC2567936 
(E)-3-ethoxy-2-methylprop-2-enal 
MFCD00006975 
(2E)-3-ethoxy-2-methylprop-2-enal 
AKOS015916269 
(2E)-3-Ethoxy-2-methyl-2-propenal # 
KDOAHVPFGIYCEU-AATRIKPKSA-N 
AS-47052 
3-ETHOXY-2-METHYL-2-PROPEN-1-AL 
J-800343 
I14-49885 
3-Ethoxy-2-methylacrylaldehyde 
Boc-L-beta-homophenylalanine 
C6-H10-O2 
ZINC02567936 
CID3084868 
62055-46-3 
J-640340 
3-ethoxy-2-methyl-2-propenal 
EINECS 255-899-4 
3-ethoxy-methacrolein 
AC1MJ3EA 
3-Ethoxy-2-methylpropenal 
3-Ethoxy-2-methylacroleine 
Literature
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