Methoxyapigeninidin chloride

CAT: 0926-LGA77351-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-LGA77351-01Size:10 mg

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CAS Number

161773-51-9

Smiles

COC1=CC (=C2C=CC (=[O+]C2=C1) C3=CC=C (C=C3) O) O.[Cl-]

Molecular Formula

C16H13ClO4

Molecular Weight

304.72 g/mol

Controlled

Chemical Information

7-Methoxyapigeninidin

structure given in first source

CAS Number	161773-51-9
PubChem CID	76308630
IUPAC Name	2-(4-hydroxyphenyl)-7-methoxychromenylium-5-ol chloride
Molecular Formula	C16H13ClO4
Molecular Weight	304.72
Topological Polar Surface Area	50.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	314

SMILES

COC1=CC(=C2C=CC(=[O+]C2=C1)C3=CC=C(C=C3)O)O.[Cl-]

InChI

InChI=1S/C16H12O4.ClH/c1-19-12-8-14(18)13-6-7-15(20-16(13)9-12)10-2-4-11(17)5-3-10;/h2-9H,1H3,(H-,17,18);1H

InChIKey

VQSWXDUWNOYURP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 161773-51-9

CID: 76308630

Formula: C16H13ClO4

MW: 304.72

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	304.72
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	304.0502366
Monoisotopic Mass	304.0502366
Topological Polar Surface Area	50.7 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	314
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
FD65524-01	Diosmetinidin chloride
FD61260-01	Dimethylthiocarbamoyl chloride
FD33717-01	Decanoyl chloride
FC71316-01	Cinnamoyl chloride
FC52987-01	Cyclopropanesulfonyl chloride
FC161212-01	Cyclobutanesulfonyl chloride
FBA04485-01	Chelirubine chloride
FB74002-01	Berberrubine chloride
FB138878-01	Benzal Chloride
KAA01968	Desmosine chloride

Catalog	Name
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3121645	Cobalt chloride (Cobaltous chloride)
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