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Food Red 4

CAT: 0926-CAA30296-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-CAA30296-01Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2302-96-7
MDL Number
MFCD00191366
Smiles
C1=CC=C2C (=C1) C (=CC=C2S (=O) (=O) [O-]) N=NC3=C (C=CC4=C3C=CC (=C4) S (=O) (=O) [O-]) O.[Na+].[Na+]
Molecular Formula
C20H14N2O7S2•Na2
Molecular Weight
504.45 g/mol
Controlled
No

Chemical Information

Acid Red 13

C.I. Acid Red 13 is a member of naphthalenes and a monoazo compound.

CAS Number2302-96-7
PubChem CID16813
IUPAC Namedisodium;6-hydroxy-5-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate
Molecular FormulaC20H12N2Na2O7S2
Molecular Weight502.4
Topological Polar Surface Area176
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count33
Formal Charge0
Complexity854
SMILES
C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N=NC3=C(C=CC4=C3C=CC(=C4)S(=O)(=O)[O-])O.[Na+].[Na+]
InChI
InChI=1S/C20H14N2O7S2.2Na/c23-18-9-5-12-11-13(30(24,25)26)6-7-14(12)20(18)22-21-17-8-10-19(31(27,28)29)16-4-2-1-3-15(16)17;;/h1-11,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2
InChIKey
YCDHVKWTZBVDKD-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Acid Red 13
CAS: 2302-96-7
CID: 16813
Formula: C20H12N2Na2O7S2
MW: 502.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight502.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass501.98813164
Monoisotopic Mass501.98813164
Topological Polar Surface Area176 Ų
Heavy Atom Count33
Formal Charge0
Complexity854
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes