Isopimpinellin

CAT: 0607-BA2074-20Size: 20 mgDry Ice: NoHazardous: No

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CAT#:0607-BA2074-20Size:20 mg

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CAS Number

482-27-9

Form

A solid

Molecular Formula

C13H10O5

Molecular Weight

246.22

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

Isopimpinellin

Isopimpinellin is a member of psoralens.

CAS Number	482-27-9
PubChem CID	68079
IUPAC Name	4,9-dimethoxyfuro[3,2-g]chromen-7-one
Molecular Formula	C13H10O5
Molecular Weight	246.21
XLogP	1.9
Topological Polar Surface Area	57.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	366

SMILES

COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC

InChI

InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3

InChIKey

DFMAXQKDIGCMTL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 482-27-9

CID: 68079

Formula: C13H10O5

MW: 246.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	246.21
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	246.05282342
Monoisotopic Mass	246.05282342
Topological Polar Surface Area	57.9 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	366
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
300493	Isopimpinellin
HY-N0769R	Isopimpinellin (Standard)
FI15198-01	Isopimpinellin - Angelica archangelica (angelica)