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Hexanal-d12

CAS No.:
1219803-74-3
Catalog Number:
AG009FER
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG009FER
Chemical Name:
Hexanal-d12
CAS Number:
1219803-74-3
MDL Number:
MFCD06658854
IUPAC Name:
1,2,2,3,3,4,4,5,5,6,6,6-dodecadeuteriohexan-1-one
InChI:
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D
InChI Key:
JARKCYVAAOWBJS-PSDCQUMKSA-N
Properties
Complexity:
41.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.164g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
12  
Molecular Weight:
112.234g/mol
Monoisotopic Mass:
112.164g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties