Crocein Orange G

CAT: 0024-sc-311308Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-311308Size:25 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1934-20-9

Chemical Information

Acid orange 12

See also: Acid Orange 12 (annotation moved to).

CAS Number	1934-20-9
PubChem CID	135465070
IUPAC Name	sodium 6-hydroxy-5-phenyldiazenylnaphthalene-2-sulfonate
Molecular Formula	C16H11N2NaO4S
Molecular Weight	350.3
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	531

SMILES

C1=CC=C(C=C1)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C16H12N2O4S.Na/c19-15-9-6-11-10-13(23(20,21)22)7-8-14(11)16(15)18-17-12-4-2-1-3-5-12;/h1-10,19H,(H,20,21,22);/q;+1/p-1

InChIKey

YOCIQNIEQYCORH-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 1934-20-9

CID: 135465070

Formula: C16H11N2NaO4S

MW: 350.3

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	350.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	350.03372229
Monoisotopic Mass	350.03372229
Topological Polar Surface Area	111 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	531
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes