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141939-89-1 | Butanal, 2-ethyl-3-oxo-
CAS No: 141939-89-1 Catalog No: AG001HEW MDL No:MFCD18827152
Product Description
Catalog Number:
AG001HEW
Chemical Name:
Butanal, 2-ethyl-3-oxo-
CAS Number:
141939-89-1
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD18827152
IUPAC Name:
2-ethyl-3-oxobutanal
InChI:
InChI=1S/C6H10O2/c1-3-6(4-7)5(2)8/h4,6H,3H2,1-2H3
InChI Key:
RHVXPAFWOYITES-UHFFFAOYSA-N
SMILES:
CCC(C(=O)C)C=O
Properties
Complexity:
96.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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