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113675-93-7

113675-93-7 | Carbamic acid, [cyano[(2-methylphenyl)hydrazono]acetyl]-, ethyl ester (9CI)

CAS No: 113675-93-7 Catalog No: AG00099A MDL No:

Product Description

Catalog Number:
AG00099A
Chemical Name:
Carbamic acid, [cyano[(2-methylphenyl)hydrazono]acetyl]-, ethyl ester (9CI)
CAS Number:
113675-93-7
Molecular Formula:
C13H14N4O3
Molecular Weight:
274.2753
IUPAC Name:
ethyl N-[2-cyano-2-[(2-methylphenyl)hydrazinylidene]acetyl]carbamate
InChI:
InChI=1S/C13H14N4O3/c1-3-20-13(19)15-12(18)11(8-14)17-16-10-7-5-4-6-9(10)2/h4-7,16H,3H2,1-2H3,(H,15,18,19)
InChI Key:
SVUZKFKMOYMUKI-UHFFFAOYSA-N
SMILES:
CCOC(=O)NC(=O)C(=NNc1ccccc1C)C#N

Properties

Complexity:
438  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.107g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
274.28g/mol
Monoisotopic Mass:
274.107g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.2  

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