Home Carboxys ethyl 5-(methoxymethyl)-1H-1,2,4-triazole-3-carboxylate

ethyl 5-(methoxymethyl)-1H-1,2,4-triazole-3-carboxylate

CAS No.:
329984-04-5
Catalog Number:
AG01C56Y
Molecular Formula:
C7H11N3O3
Molecular Weight:
185.1805
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Product Description
Catalog Number:
AG01C56Y
Chemical Name:
ethyl 5-(methoxymethyl)-1H-1,2,4-triazole-3-carboxylate
CAS Number:
329984-04-5
Molecular Formula:
C7H11N3O3
Molecular Weight:
185.1805
MDL Number:
MFCD18344422
IUPAC Name:
ethyl 5-(methoxymethyl)-1H-1,2,4-triazole-3-carboxylate
InChI:
InChI=1S/C7H11N3O3/c1-3-13-7(11)6-8-5(4-12-2)9-10-6/h3-4H2,1-2H3,(H,8,9,10)
InChI Key:
UOCITRKYCKNSJL-UHFFFAOYSA-N
SMILES:
COCc1[nH]nc(n1)C(=O)OCC
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.08g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.183g/mol
Monoisotopic Mass:
185.08g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties