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124737-31-1 | Benzenediazonium, 4-(dimethylamino)-, 2-hydroxy-5-sulfobenzoate (1:1)
CAS No: 124737-31-1 Catalog No: AG000MP5 MDL No:
Product Description
Catalog Number:
AG000MP5
Chemical Name:
Benzenediazonium, 4-(dimethylamino)-, 2-hydroxy-5-sulfobenzoate (1:1)
CAS Number:
124737-31-1
Molecular Formula:
C15H15N3O6S
Molecular Weight:
365.3611
IUPAC Name:
3-carboxy-4-hydroxybenzenesulfonate;4-(dimethylamino)benzenediazonium
InChI:
InChI=1S/C8H10N3.C7H6O6S/c1-11(2)8-5-3-7(10-9)4-6-8;8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h3-6H,1-2H3;1-3,8H,(H,9,10)(H,11,12,13)/q+1;/p-1
InChI Key:
OWVHHXKGBMBZIY-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1cc(ccc1O)S(=O)(=O)O.N#[N+]c1ccc(cc1)N(C)C
EC Number:
404-980-4
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.068g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
365.36g/mol
Monoisotopic Mass:
365.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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