A-Lapachone

CAT: 0127-BUP02821-05Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP02821-05Size:50 mg

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CAS Number

4707-33-9

Synonyms

Alpha-Lapachone

Purity

=98%

Smiles

CC1(C)CCC2=C(O1)C(=O)c1ccccc1C2=O

Chemical Information

3,4-Dihydro-2,2-dimethyl-2H-naphtho(2,3-b)pyran-5,10-dione

Alpha-Lapachone is an organic heterotricyclic compound and an organooxygen compound.

CAS Number	4707-33-9
PubChem CID	72732
IUPAC Name	2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
Molecular Formula	C15H14O3
Molecular Weight	242.27
XLogP	2.6
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	18
Formal Charge	0
Complexity	445

SMILES

CC1(CCC2=C(O1)C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C15H14O3/c1-15(2)8-7-11-12(16)9-5-3-4-6-10(9)13(17)14(11)18-15/h3-6H,7-8H2,1-2H3

InChIKey

PJWHOPKRRBUSDH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4707-33-9

CID: 72732

Formula: C15H14O3

MW: 242.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	242.27
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	242.094294304
Monoisotopic Mass	242.094294304
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	445
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
BUP14511-01	Lapachol