Bergapten

CAT: 1299-RG-A260748-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A260748-04Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

484-20-8

Synonyms

Bergapten

Molecular Formula

C12H8O4

Molecular Weight

216.19

Product Name Synonym

Bergapten

Chemical Information

Bergapten

5-Methoxypsoralen with ultraviolet A therapy can cause cancer according to an independent committee of scientific and health experts.

CAS Number	484-20-8
PubChem CID	2355
IUPAC Name	4-methoxyfuro[3,2-g]chromen-7-one
Molecular Formula	C12H8O4
Molecular Weight	216.19
XLogP	2.3
Topological Polar Surface Area	48.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	325

SMILES

COC1=C2C=CC(=O)OC2=CC3=C1C=CO3

InChI

InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3

InChIKey

BGEBZHIAGXMEMV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 484-20-8

CID: 2355

Formula: C12H8O4

MW: 216.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	216.19
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	216.04225873
Monoisotopic Mass	216.04225873
Topological Polar Surface Area	48.7 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	325
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
RG-P022771-01	Bergaptol