Home Other Building Blocks 3-ETHOXYMETHACROLEIN

3-ETHOXYMETHACROLEIN

CAS No.:
42588-57-8
Catalog Number:
AG003JDV
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
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Product Description
Catalog Number:
AG003JDV
Chemical Name:
3-ETHOXYMETHACROLEIN
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
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  
Properties