Home Other Building Blocks Acetic acid, 2-azido-, methyl ester

Acetic acid, 2-azido-, methyl ester

CAS No.:
1816-92-8
Catalog Number:
AG0022YW
Molecular Formula:
C3H5N3O2
Molecular Weight:
115.0907
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Product Description
Catalog Number:
AG0022YW
Chemical Name:
Acetic acid, 2-azido-, methyl ester
CAS Number:
1816-92-8
Molecular Formula:
C3H5N3O2
Molecular Weight:
115.0907
MDL Number:
MFCD01311034
IUPAC Name:
methyl 2-azidoacetate
InChI:
InChI=1S/C3H5N3O2/c1-8-3(7)2-5-6-4/h2H2,1H3
InChI Key:
RXYCUKSOYJWGPE-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCC(=O)OC
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.038g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
115.092g/mol
Monoisotopic Mass:
115.038g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Methyl 5,6-dimeth-oxy-1H-indole-2-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20091001
Properties