Flindersine

CAT: 0926-FF157195-02Size: 1000 µgDry Ice: NoHazardous: No

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CAT#:0926-FF157195-02Size:1000 µg

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CAS Number

523-64-8

Smiles

CC1 (C=CC2=C (O1) C3=CC=CC=C3NC2=O) C

Molecular Formula

C14H13NO2

Molecular Weight

227.26 g/mol

Controlled

Chemical Information

Flindersine

Flindersine is an organic heterotricyclic compound, an organonitrogen heterocyclic compound and an oxacycle.

CAS Number	523-64-8
PubChem CID	68230
IUPAC Name	2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one
Molecular Formula	C14H13NO2
Molecular Weight	227.26
XLogP	2
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	17
Formal Charge	0
Complexity	420

SMILES

CC1(C=CC2=C(O1)C3=CC=CC=C3NC2=O)C

InChI

InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)

InChIKey

PXNMNABLQWUMCX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 523-64-8

CID: 68230

Formula: C14H13NO2

MW: 227.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.26
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	227.094628657
Monoisotopic Mass	227.094628657
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	420
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
GTR19228974-01	Flindersine