Home Other Building Blocks Methyl 1H-tetrazol-1-ylacetate

Methyl 1H-tetrazol-1-ylacetate

CAS No.:
55633-19-7
Catalog Number:
AG003S2P
Molecular Formula:
C4H6N4O2
Molecular Weight:
142.1160
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Product Description
Catalog Number:
AG003S2P
Chemical Name:
Methyl 1H-tetrazol-1-ylacetate
CAS Number:
55633-19-7
Molecular Formula:
C4H6N4O2
Molecular Weight:
142.1160
MDL Number:
MFCD03650761
IUPAC Name:
methyl 2-(tetrazol-1-yl)acetate
InChI:
InChI=1S/C4H6N4O2/c1-10-4(9)2-8-3-5-6-7-8/h3H,2H2,1H3
InChI Key:
CGQJVEFCNZKVRS-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1cnnn1
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.049g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.118g/mol
Monoisotopic Mass:
142.049g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties