Home Carboxys 1H-Benzotriazole-5-carboxylic acid, 6-methoxy-

1H-Benzotriazole-5-carboxylic acid, 6-methoxy-

CAS No.:
59338-92-0
Catalog Number:
AG00IAJO
Molecular Formula:
C8H7N3O3
Molecular Weight:
193.1595
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Product Description
Catalog Number:
AG00IAJO
Chemical Name:
1H-Benzotriazole-5-carboxylic acid, 6-methoxy-
CAS Number:
59338-92-0
Molecular Formula:
C8H7N3O3
Molecular Weight:
193.1595
MDL Number:
MFCD18974924
IUPAC Name:
6-methoxy-2H-benzotriazole-5-carboxylic acid
InChI:
InChI=1S/C8H7N3O3/c1-14-7-3-6-5(9-11-10-6)2-4(7)8(12)13/h2-3H,1H3,(H,12,13)(H,9,10,11)
InChI Key:
GILWQWDMFSVMCL-UHFFFAOYSA-N
SMILES:
COc1cc2[nH]nnc2cc1C(=O)O
EC Number:
261-709-0
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.049g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.162g/mol
Monoisotopic Mass:
193.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties