Helioxanthin derivative 5-4-2

CAT: 0127-BUP01631-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP01631-01Size:5 mg

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CAS Number

203935-39-1

Synonyms

Helioxanthin 5-4-2

Purity

=98%

Smiles

O=C1NCc2c1cc1ccc3OCOc3c1c2-c1ccc2OCOc2c1

Chemical Information

Helioxanthin derivative 5-4-2

CAS Number	203935-39-1
PubChem CID	5273792
IUPAC Name	10-(1,3-benzodioxol-5-yl)-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one
Molecular Formula	C20H13NO5
Molecular Weight	347.3
XLogP	3.3
Topological Polar Surface Area	66
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	26
Formal Charge	0
Complexity	585

SMILES

C1C2=C(C=C3C=CC4=C(C3=C2C5=CC6=C(C=C5)OCO6)OCO4)C(=O)N1

InChI

InChI=1S/C20H13NO5/c22-20-12-5-10-2-4-15-19(26-9-24-15)18(10)17(13(12)7-21-20)11-1-3-14-16(6-11)25-8-23-14/h1-6H,7-9H2,(H,21,22)

InChIKey

UVKXTQRJKHBAMT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 203935-39-1

CID: 5273792

Formula: C20H13NO5

MW: 347.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	347.3
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	347.07937252
Monoisotopic Mass	347.07937252
Topological Polar Surface Area	66 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	585
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	1
Compound Is Canonicalized	Yes

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Catalog	Name
B4700-5.1	Helioxanthin derivative 5-4-2
A20885-50	Helioxanthin derivative 5-4-2 50mg
A20885-10	Helioxanthin derivative 5-4-2 10mg
A20885-100	Helioxanthin derivative 5-4-2 100mg
A20885-1	Helioxanthin derivative 5-4-2 1mg
A20885-25	Helioxanthin derivative 5-4-2 25mg
A20885-5	Helioxanthin derivative 5-4-2 5mg
MBS130250-01	Helioxanthin 5-4-2
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