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113789-87-0 | Butanoic acid, 4-azido-2-methyl-, methyl ester
CAS No: 113789-87-0 Catalog No: AG0009NW MDL No:
Product Description
Catalog Number:
AG0009NW
Chemical Name:
Butanoic acid, 4-azido-2-methyl-, methyl ester
CAS Number:
113789-87-0
Molecular Formula:
C6H11N3O2
Molecular Weight:
157.1704
IUPAC Name:
methyl 4-azido-2-methylbutanoate
InChI:
InChI=1S/C6H11N3O2/c1-5(6(10)11-2)3-4-8-9-7/h5H,3-4H2,1-2H3
InChI Key:
HYVJNOSYCGFPOH-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCCC(C(=O)OC)C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.085g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.173g/mol
Monoisotopic Mass:
157.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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