Home Carboxys 3-Aminobenzo[d]isoxazole-4-carboxylicAcid

3-Aminobenzo[d]isoxazole-4-carboxylicAcid

CAS No.:
1104505-81-8
Catalog Number:
AG00HBQ0
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
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Product Description
Catalog Number:
AG00HBQ0
Chemical Name:
3-Aminobenzo[d]isoxazole-4-carboxylicAcid
CAS Number:
1104505-81-8
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD20660149
IUPAC Name:
3-amino-1,2-benzoxazole-4-carboxylic acid
InChI:
InChI=1S/C8H6N2O3/c9-7-6-4(8(11)12)2-1-3-5(6)13-10-7/h1-3H,(H2,9,10)(H,11,12)
InChI Key:
FCIMKUURFDDBAB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1c(N)no2
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties