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17901-93-8 | Benzaldehyde-d6
CAS No: 17901-93-8 Catalog No: AG0026OZ MDL No:
Product Description
Catalog Number:
AG0026OZ
Chemical Name:
Benzaldehyde-d6
CAS Number:
17901-93-8
Molecular Formula:
C7D6O
Molecular Weight:
112.1589
IUPAC Name:
deuterio-(2,3,4,5,6-pentadeuteriophenyl)methanone
InChI:
InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H/i1D,2D,3D,4D,5D,6D
InChI Key:
HUMNYLRZRPPJDN-MZWXYZOWSA-N
SMILES:
c1([2H])c([2H])c([2H])c(c(c1[2H])[2H])C(=O)[2H]
Properties
Complexity:
72.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.08g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
6
Molecular Weight:
112.161g/mol
Monoisotopic Mass:
112.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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