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1020714-78-6 | Propanoic acid, 3-azido-2-(benzoyloxy)-
CAS No: 1020714-78-6 Catalog No: AG0006HY MDL No:
Product Description
Catalog Number:
AG0006HY
Chemical Name:
Propanoic acid, 3-azido-2-(benzoyloxy)-
CAS Number:
1020714-78-6
Molecular Formula:
C10H9N3O4
Molecular Weight:
235.1962
IUPAC Name:
3-azido-2-benzoyloxypropanoic acid
InChI:
InChI=1S/C10H9N3O4/c11-13-12-6-8(9(14)15)17-10(16)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,14,15)
InChI Key:
VLDOQDQFTOPSBS-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)OC(C(=O)O)CN=[N+]=[N-]
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.199g/mol
Monoisotopic Mass:
235.059g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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