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10142-37-7 | Benzoic acid, 3-[2-(4-amino-3-methoxyphenyl)diazenyl]-, sodium salt (1:1)
CAS No: 10142-37-7 Catalog No: AG0004GG MDL No:
Product Description
Catalog Number:
AG0004GG
Chemical Name:
Benzoic acid, 3-[2-(4-amino-3-methoxyphenyl)diazenyl]-, sodium salt (1:1)
CAS Number:
10142-37-7
Molecular Formula:
C14H12N3NaO3
Molecular Weight:
293.2532
IUPAC Name:
sodium;3-[(4-amino-3-methoxyphenyl)diazenyl]benzoate
InChI:
InChI=1S/C14H13N3O3.Na/c1-20-13-8-11(5-6-12(13)15)17-16-10-4-2-3-9(7-10)14(18)19;/h2-8H,15H2,1H3,(H,18,19);/q;+1/p-1
InChI Key:
AJDMQIQLQVJZFF-UHFFFAOYSA-M
SMILES:
COc1cc(N=Nc2cccc(c2)C(=O)[O-])ccc1N.[Na+]
EC Number:
233-403-7
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.258g/mol
Monoisotopic Mass:
293.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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