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89534-27-0 | Butyraldehyde, 2-ethoxy-
CAS No: 89534-27-0 Catalog No: AG003Z10 MDL No:
Product Description
Catalog Number:
AG003Z10
Chemical Name:
Butyraldehyde, 2-ethoxy-
CAS Number:
89534-27-0
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
IUPAC Name:
2-ethoxybutanal
InChI:
InChI=1S/C6H12O2/c1-3-6(5-7)8-4-2/h5-6H,3-4H2,1-2H3
InChI Key:
RMJPDSDRGGRKTH-UHFFFAOYSA-N
SMILES:
CCOC(C=O)CC
Properties
Complexity:
61.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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