Dracorhodin Perchlorate

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CAS Number

125536-25-6

Synonyms

5-methoxy-6-methyl-2-phenylchromenylium-7-ol; perchlorate

Purity

97%

Smiles

CC1=C(C2=C(C=C1O)[O+]=C(C=C2)C3=CC=CC=C3)OC.[O-]Cl(=O)(=O)=O

Chemical Information

Dracorhodin perchlorate

CAS Number	125536-25-6
PubChem CID	74787691
IUPAC Name	5-methoxy-6-methyl-2-phenylchromenylium-7-ol perchlorate
Molecular Formula	C17H15ClO7
Molecular Weight	366.7
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	25
Formal Charge	0
Complexity	409

SMILES

CC1=C(C2=C(C=C1O)[O+]=C(C=C2)C3=CC=CC=C3)OC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C17H14O3.ClHO4/c1-11-14(18)10-16-13(17(11)19-2)8-9-15(20-16)12-6-4-3-5-7-12;2-1(3,4)5/h3-10H,1-2H3;(H,2,3,4,5)

InChIKey

KRTYZFUODYMZPG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 125536-25-6

CID: 74787691

Formula: C17H15ClO7

MW: 366.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	366.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	366.0506305
Monoisotopic Mass	366.0506305
Topological Polar Surface Area	105 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	409
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

Catalog	Name
OR1044207-01	Hexadecyltrimethylammonium perchlorate
OR72446	Tetrabutylammonium Perchlorate
OR1044045-01	Tetraethylammonium perchlorate
OR1029695-01	Tetramethylammonium Perchlorate
OR92901-01	Diphenyliodonium perchlorate
IN13173-01	Barium Perchlorate
OR1028607-01	Cesium Perchlorate
OR1044031-01	Potassium perchlorate
BUP13201-01	TMRM Perchlorate
IN9861	Lithium Perchlorate

Catalog	Name
TBZ2835	Dracorhodin perchlorate
HY-N0726R	Dracorhodin perchlorate (Standard)
FD145231-01	Dracorhodin
GTR19159736-01	Dracorhodin perochlorate
E37F22066-100 mg	DiO perchlorate [3,3’-Dioctadecyloxacarbocyanine perchlorate]
MBS8579969-01	DiO perchloRate [3, 3'-Dioctadecyloxacarbocyanine perchloRate]
HY-W127680-01	Tetrabutylammonium (perchlorate)
FL65068	Lupanine perchlorate
FA75547-01	Acetylcholine perchlorate
TRC-L474830-10MG	(+)-Lupanine perchlorate