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2654-97-9 | Propanoic acid, 2-azido-2-methyl-
CAS No: 2654-97-9 Catalog No: AG002TMG MDL No:
Product Description
Catalog Number:
AG002TMG
Chemical Name:
Propanoic acid, 2-azido-2-methyl-
CAS Number:
2654-97-9
Molecular Formula:
C4H7N3O2
Molecular Weight:
129.1173
IUPAC Name:
2-azido-2-methylpropanoic acid
InChI:
InChI=1S/C4H7N3O2/c1-4(2,3(8)9)6-7-5/h1-2H3,(H,8,9)
InChI Key:
XETFKLCZGCAEGX-UHFFFAOYSA-N
SMILES:
OC(=O)C(N=[N+]=[N-])(C)C
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.054g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
129.119g/mol
Monoisotopic Mass:
129.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Peptidotriazoles on solid phase: [1,2,3]-triazoles by regiospecific copper(i)-catalyzed 1,3-dipolar cycloadditions of terminal alkynes to azides. | The Journal of organic chemistry 20020503 |
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