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89160-47-4 | Pentanoic acid, 5-(2,1,3-benzoxadiazol-4-ylamino)-
CAS No: 89160-47-4 Catalog No: AG003WOC MDL No:
Product Description
Catalog Number:
AG003WOC
Chemical Name:
Pentanoic acid, 5-(2,1,3-benzoxadiazol-4-ylamino)-
CAS Number:
89160-47-4
Molecular Formula:
C11H13N3O3
Molecular Weight:
235.2392
IUPAC Name:
5-(2,1,3-benzoxadiazol-4-ylamino)pentanoic acid
InChI:
InChI=1S/C11H13N3O3/c15-10(16)6-1-2-7-12-8-4-3-5-9-11(8)14-17-13-9/h3-5,12H,1-2,6-7H2,(H,15,16)
InChI Key:
YHRSFQOGSYBVIC-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCNc1cccc2c1non2
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.243g/mol
Monoisotopic Mass:
235.096g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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