Angelicin 25mg

CAT: 0628-A12198-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A12198-25Size:25 mg

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CAS Number

523-50-2

Chemical Information

Isopsoralen

Angelicin is a furanocoumarin.

CAS Number	523-50-2
PubChem CID	10658
IUPAC Name	furo[2,3-h]chromen-2-one
Molecular Formula	C11H6O3
Molecular Weight	186.16
XLogP	2
Topological Polar Surface Area	39.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	14
Formal Charge	0
Complexity	284

SMILES

C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3

InChI

InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H

InChIKey

XDROKJSWHURZGO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 523-50-2

CID: 10658

Formula: C11H6O3

MW: 186.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.16
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	186.031694049
Monoisotopic Mass	186.031694049
Topological Polar Surface Area	39.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	284
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
HY-N0763-01	Angelicin
299921	Angelicin (Isopsoralen)
HY-N0763R-01	Angelicin (Standard)
MBS1171541-01	Recombinant Pastinaca sativa Angelicin synthase (CYP71AJ4), partial
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