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89160-48-5 | Hexanoic acid, 6-(2,1,3-benzoxadiazol-4-ylamino)-
CAS No: 89160-48-5 Catalog No: AG003WOB MDL No:
Product Description
Catalog Number:
AG003WOB
Chemical Name:
Hexanoic acid, 6-(2,1,3-benzoxadiazol-4-ylamino)-
CAS Number:
89160-48-5
Molecular Formula:
C12H15N3O3
Molecular Weight:
249.2658
IUPAC Name:
6-(2,1,3-benzoxadiazol-4-ylamino)hexanoic acid
InChI:
InChI=1S/C12H15N3O3/c16-11(17)7-2-1-3-8-13-9-5-4-6-10-12(9)15-18-14-10/h4-6,13H,1-3,7-8H2,(H,16,17)
InChI Key:
SWWURKOFLIOKFX-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCNc1cccc2c1non2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.27g/mol
Monoisotopic Mass:
249.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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