Dehydro-α-lapachone

CAT: 0926-QAA29792-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-QAA29792-02Size:100 mg

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CAS Number

15297-92-4

MDL Number

MFCD00022286

Smiles

CC1 (C=CC2=C (O1) C (=O) C3=CC=CC=C3C2=O) C

Molecular Formula

C15H12O3

Molecular Weight

240.25 g/mol

Controlled

Chemical Information

Xyloidone

Dehydro-alpha-lapachone has been reported in Rhinacanthus nasutus, Handroanthus guayacan, and other organisms with data available.

CAS Number	15297-92-4
PubChem CID	72734
IUPAC Name	2,2-dimethylbenzo[g]chromene-5,10-dione
Molecular Formula	C15H12O3
Molecular Weight	240.25
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	482

SMILES

CC1(C=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C15H12O3/c1-15(2)8-7-11-12(16)9-5-3-4-6-10(9)13(17)14(11)18-15/h3-8H,1-2H3

InChIKey

OWFHAMHRUCUSRM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15297-92-4

CID: 72734

Formula: C15H12O3

MW: 240.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	240.25
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	240.078644241
Monoisotopic Mass	240.078644241
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	482
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