Home Other Building Blocks ethyl 2-(1-methyl-1H-1,2,3-triazol-5-yl)-2-oxoacetate

ethyl 2-(1-methyl-1H-1,2,3-triazol-5-yl)-2-oxoacetate

CAS No.:
2028179-65-7
Catalog Number:
AG01EJW4
Molecular Formula:
C7H9N3O3
Molecular Weight:
183.1647
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Product Description
Catalog Number:
AG01EJW4
Chemical Name:
ethyl 2-(1-methyl-1H-1,2,3-triazol-5-yl)-2-oxoacetate
CAS Number:
2028179-65-7
Molecular Formula:
C7H9N3O3
Molecular Weight:
183.1647
MDL Number:
MFCD31665539
IUPAC Name:
ethyl 2-(3-methyltriazol-4-yl)-2-oxoacetate
InChI:
InChI=1S/C7H9N3O3/c1-3-13-7(12)6(11)5-4-8-9-10(5)2/h4H,3H2,1-2H3
InChI Key:
DQBDWNRRLRUAJR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1cnnn1C
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.064g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.167g/mol
Monoisotopic Mass:
183.064g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties