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87556-55-6 | Butanal, 4,4'-iminobis-
CAS No: 87556-55-6 Catalog No: AG004JB9 MDL No:
Product Description
Catalog Number:
AG004JB9
Chemical Name:
Butanal, 4,4'-iminobis-
CAS Number:
87556-55-6
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
IUPAC Name:
4-(4-oxobutylamino)butanal
InChI:
InChI=1S/C8H15NO2/c10-7-3-1-5-9-6-2-4-8-11/h7-9H,1-6H2
InChI Key:
VRDONQQLCXSBBX-UHFFFAOYSA-N
SMILES:
O=CCCCNCCCC=O
Properties
Complexity:
92.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.213g/mol
Monoisotopic Mass:
157.11g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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