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547-58-0 | Methyl Orange
CAS No: 547-58-0 Catalog No: AG003S1L MDL No:MFCD00007502
Product Description
Catalog Number:
AG003S1L
Chemical Name:
Methyl Orange
CAS Number:
547-58-0
Molecular Formula:
C14H14N3NaO3S
Molecular Weight:
327.3340
MDL Number:
MFCD00007502
IUPAC Name:
sodium;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate
InChI:
InChI=1S/C14H15N3O3S.Na/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20;/h3-10H,1-2H3,(H,18,19,20);/q;+1/p-1
InChI Key:
STZCRXQWRGQSJD-UHFFFAOYSA-M
SMILES:
CN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)[O-])C.[Na+]
EC Number:
208-925-3
UNII:
6B4TC34456
UN Number:
3143
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.065g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.334g/mol
Monoisotopic Mass:
327.065g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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