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90953-04-1

90953-04-1 | 6-METHYL-2-PYRIDINECARBOXALDEHYDE SEMICARBAZONE

CAS No: 90953-04-1 Catalog No: AG006GA7 MDL No:

Product Description

Catalog Number:
AG006GA7
Chemical Name:
6-METHYL-2-PYRIDINECARBOXALDEHYDE SEMICARBAZONE
CAS Number:
90953-04-1
Molecular Formula:
C8H10N4O
Molecular Weight:
178.1912
IUPAC Name:
[(E)-(6-methylpyridin-2-yl)methylideneamino]urea
InChI:
InChI=1S/C8H10N4O/c1-6-3-2-4-7(11-6)5-10-12-8(9)13/h2-5H,1H3,(H3,9,12,13)/b10-5+
InChI Key:
OVAJJTKLTHDKNX-BJMVGYQFSA-N
SMILES:
Cc1cccc(n1)C=NNC(=O)N

Properties

Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
178.085g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
178.195g/mol
Monoisotopic Mass:
178.085g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

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