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Home > Aldehydes > 1331636-03-3
1331636-03-3 | Benzaldehyde-13CSemicarbazone
CAS No: 1331636-03-3 Catalog No: AG01E13X MDL No:
Product Description
Catalog Number:
AG01E13X
Chemical Name:
Benzaldehyde-13CSemicarbazone
CAS Number:
1331636-03-3
IUPAC Name:
[(E)-benzylideneamino](13C)urea
InChI:
InChI=1S/C8H9N3O/c9-8(12)11-10-6-7-4-2-1-3-5-7/h1-6H,(H3,9,11,12)/b10-6+/i8+1
InChI Key:
AKGUXECGGCUDCV-YFXCZPJUSA-N
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
164.078g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
1
Molecular Weight:
164.172g/mol
Monoisotopic Mass:
164.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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