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14066-64-9 | 3-METHOXYBENZALDEHYDE SEMICARBAZONE
CAS No: 14066-64-9 Catalog No: AG007ZRL MDL No:
Product Description
Catalog Number:
AG007ZRL
Chemical Name:
3-METHOXYBENZALDEHYDE SEMICARBAZONE
CAS Number:
14066-64-9
Molecular Formula:
C9H11N3O2
Molecular Weight:
193.2025
IUPAC Name:
[(3-methoxyphenyl)methylideneamino]urea
InChI:
InChI=1S/C9H11N3O2/c1-14-8-4-2-3-7(5-8)6-11-12-9(10)13/h2-6H,1H3,(H3,10,12,13)
InChI Key:
MJWRHISZLAFFHP-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C=NNC(=O)N
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.206g/mol
Monoisotopic Mass:
193.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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