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10197-64-5 | 1H-Imidazole-4-carboxylic acid, 5-(3,3-dimethyl-1-triazen-1-yl)-, methyl ester
CAS No: 10197-64-5 Catalog No: AG00064W MDL No:
Product Description
Catalog Number:
AG00064W
Chemical Name:
1H-Imidazole-4-carboxylic acid, 5-(3,3-dimethyl-1-triazen-1-yl)-, methyl ester
CAS Number:
10197-64-5
Molecular Formula:
C7H11N5O2
Molecular Weight:
197.1945
IUPAC Name:
methyl 4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carboxylate
InChI:
InChI=1S/C7H11N5O2/c1-12(2)11-10-6-5(7(13)14-3)8-4-9-6/h4H,1-3H3,(H,8,9)/b11-10+
InChI Key:
JGBCOMOYIPBHIS-ZHACJKMWSA-N
SMILES:
COC(=O)c1nc[nH]c1N=NN(C)C
NSC Number:
87982
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
197.091g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.198g/mol
Monoisotopic Mass:
197.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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