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1248438-81-4

1248438-81-4 | 1H-1,2,4-Triazole-1-acetic acid, 3,5-dimethyl-, ethyl ester

CAS No: 1248438-81-4 Catalog No: AG000MSY MDL No:MFCD14619298

Product Description

Catalog Number:
AG000MSY
Chemical Name:
1H-1,2,4-Triazole-1-acetic acid, 3,5-dimethyl-, ethyl ester
CAS Number:
1248438-81-4
Molecular Formula:
C8H13N3O2
Molecular Weight:
183.2077
MDL Number:
MFCD14619298
IUPAC Name:
ethyl 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetate
InChI:
InChI=1S/C8H13N3O2/c1-4-13-8(12)5-11-7(3)9-6(2)10-11/h4-5H2,1-3H3
InChI Key:
CLGOVALFRNBOAG-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cn1nc(nc1C)C

Properties

Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.101g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.211g/mol
Monoisotopic Mass:
183.101g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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