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89160-46-3 | Butanoic acid, 4-(2,1,3-benzoxadiazol-4-ylamino)-
CAS No: 89160-46-3 Catalog No: AG003X9D MDL No:
Product Description
Catalog Number:
AG003X9D
Chemical Name:
Butanoic acid, 4-(2,1,3-benzoxadiazol-4-ylamino)-
CAS Number:
89160-46-3
Molecular Formula:
C10H11N3O3
Molecular Weight:
221.2126
IUPAC Name:
4-(2,1,3-benzoxadiazol-4-ylamino)butanoic acid
InChI:
InChI=1S/C10H11N3O3/c14-9(15)5-2-6-11-7-3-1-4-8-10(7)13-16-12-8/h1,3-4,11H,2,5-6H2,(H,14,15)
InChI Key:
GFIAGBVFIQZRMB-UHFFFAOYSA-N
SMILES:
OC(=O)CCCNc1cccc2c1non2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.216g/mol
Monoisotopic Mass:
221.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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