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89160-51-0 | Hexanoic acid, 6-(2,1,3-benzoxadiazol-4-ylmethylamino)-
CAS No: 89160-51-0 Catalog No: AG003X9C MDL No:
Product Description
Catalog Number:
AG003X9C
Chemical Name:
Hexanoic acid, 6-(2,1,3-benzoxadiazol-4-ylmethylamino)-
CAS Number:
89160-51-0
Molecular Formula:
C13H17N3O3
Molecular Weight:
263.2924
IUPAC Name:
6-(2,1,3-benzoxadiazol-4-ylmethylamino)hexanoic acid
InChI:
InChI=1S/C13H17N3O3/c17-12(18)7-2-1-3-8-14-9-10-5-4-6-11-13(10)16-19-15-11/h4-6,14H,1-3,7-9H2,(H,17,18)
InChI Key:
AYVPDOQYNNDMMZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCNCc1cccc2c1non2
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.297g/mol
Monoisotopic Mass:
263.127g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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