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73664-56-9 | 5-IODOVANILLIN SEMICARBAZONE
CAS No: 73664-56-9 Catalog No: AG005C17 MDL No:
Product Description
Catalog Number:
AG005C17
Chemical Name:
5-IODOVANILLIN SEMICARBAZONE
CAS Number:
73664-56-9
Molecular Formula:
C9H10IN3O3
Molecular Weight:
335.0985
IUPAC Name:
[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]urea
InChI:
InChI=1S/C9H10IN3O3/c1-16-7-3-5(2-6(10)8(7)14)4-12-13-9(11)15/h2-4,14H,1H3,(H3,11,13,15)/b12-4-
InChI Key:
JMASRTLJHMFKEI-QCDXTXTGSA-N
SMILES:
COc1cc(C=NNC(=O)N)cc(c1O)I
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
334.977g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
335.101g/mol
Monoisotopic Mass:
334.977g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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