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87519-19-5 | Butanal, 3-(1-ethoxyethoxy)-2-ethyl-
CAS No: 87519-19-5 Catalog No: AG004F70 MDL No:
Product Description
Catalog Number:
AG004F70
Chemical Name:
Butanal, 3-(1-ethoxyethoxy)-2-ethyl-
CAS Number:
87519-19-5
Molecular Formula:
C10H20O3
Molecular Weight:
188.2640
IUPAC Name:
3-(1-ethoxyethoxy)-2-ethylbutanal
InChI:
InChI=1S/C10H20O3/c1-5-10(7-11)8(3)13-9(4)12-6-2/h7-10H,5-6H2,1-4H3
InChI Key:
JTBLDONZDVCZET-UHFFFAOYSA-N
SMILES:
CCOC(OC(C(C=O)CC)C)C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.141g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.267g/mol
Monoisotopic Mass:
188.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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