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Home > Other Heterocycles > 83004-16-4
83004-16-4 | SODIUM 2-(7,9,10-TRIAZABICYCLO[4.4.0]DECA-1,3,5,7,9-PENTAEN-8-YL)ACETA TE
CAS No: 83004-16-4 Catalog No: AG0053RE MDL No:
Product Description
Catalog Number:
AG0053RE
Chemical Name:
SODIUM 2-(7,9,10-TRIAZABICYCLO[4.4.0]DECA-1,3,5,7,9-PENTAEN-8-YL)ACETA TE
CAS Number:
83004-16-4
Molecular Formula:
C9H6N3NaO2
Molecular Weight:
211.1526
IUPAC Name:
sodium;2-(1,2,4-benzotriazin-3-yl)acetate
InChI:
InChI=1S/C9H7N3O2.Na/c13-9(14)5-8-10-6-3-1-2-4-7(6)11-12-8;/h1-4H,5H2,(H,13,14);/q;+1/p-1
InChI Key:
SBHQIYWRTQLPCQ-UHFFFAOYSA-M
SMILES:
[O-]C(=O)Cc1nnc2c(n1)cccc2.[Na+]
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.156g/mol
Monoisotopic Mass:
211.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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