Meisoindigo

CAT: 0926-FM30918-03Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-FM30918-03Size:250 mg

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CAS Number

97207-47-1

Synonyms

N-methylisoindigotin;1-Methyl-3,3'-biindole-2,2' (1H,1'H) -dione

MDL Number

MFCD05988503

Smiles

CN1C2=CC=CC=C2C (=C1O) C3=C4C=CC=CC4=NC3=O

Molecular Formula

C17H12N2O2

Molecular Weight

276.29 g/mol

Controlled

Chemical Information

Meisoindigo

See also: Meisoindigo (annotation moved to).

CAS Number	97207-47-1
PubChem CID	126274
IUPAC Name	3-(2-hydroxy-1-methylindol-3-yl)indol-2-one
Molecular Formula	C17H12N2O2
Molecular Weight	276.29
XLogP	2.6
Topological Polar Surface Area	54.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	614

SMILES

CN1C2=CC=CC=C2C(=C1O)C3=C4C=CC=CC4=NC3=O

InChI

InChI=1S/C17H12N2O2/c1-19-13-9-5-3-7-11(13)15(17(19)21)14-10-6-2-4-8-12(10)18-16(14)20/h2-9,21H,1H3

InChIKey

XZYXCQXTKOYHGK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 97207-47-1

CID: 126274

Formula: C17H12N2O2

MW: 276.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.29
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	276.089877630
Monoisotopic Mass	276.089877630
Topological Polar Surface Area	54.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	614
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

Catalog	Name
BUP06483-01	Meisoindigo
A13841-25	Meisoindigo 25mg
A13841-5	Meisoindigo 5mg
A13841-100	Meisoindigo 100mg
A13841-50	Meisoindigo 50mg
A13841-10	Meisoindigo 10mg
HY-13680R-01	Meisoindigo (Standard)
A13841-10mM-D	Meisoindigo 10mM * 1mL in DMSO
MBS130512-01	Meisoindigo(Natura-?; N-Methylisoindigotin; Dian III),