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28106-59-4 | BENZALDEHYDE-ALPHA-D1
CAS No: 28106-59-4 Catalog No: AG00BEMX MDL No:
Product Description
Catalog Number:
AG00BEMX
Chemical Name:
BENZALDEHYDE-ALPHA-D1
CAS Number:
28106-59-4
IUPAC Name:
deuterio(phenyl)methanone
InChI:
InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H/i6D
InChI Key:
HUMNYLRZRPPJDN-RAMDWTOOSA-N
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:
107.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
1
Molecular Weight:
107.13g/mol
Monoisotopic Mass:
107.048g/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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