Senkyunolide E

CAT: 0926-UDA53083-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-UDA53083-02Size:25 mg

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CAS Number

94530-83-3

Smiles

CCC (C=C1C2=CC=CC=C2C (=O) O1) O

Molecular Formula

C12H12O3

Molecular Weight

204.22 g/mol

Controlled

Chemical Information

Senkyunolide E

(3Z)-3-(2-hydroxybutylidene)-2-benzofuran-1-one has been reported in Angelica sinensis and Levisticum officinale with data available.

CAS Number	94530-83-3
PubChem CID	11830530
IUPAC Name	(3Z)-3-(2-hydroxybutylidene)-2-benzofuran-1-one
Molecular Formula	C12H12O3
Molecular Weight	204.22
XLogP	1.9
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	283

SMILES

CCC(/C=C\1/C2=CC=CC=C2C(=O)O1)O

InChI

InChI=1S/C12H12O3/c1-2-8(13)7-11-9-5-3-4-6-10(9)12(14)15-11/h3-8,13H,2H2,1H3/b11-7-

InChIKey

RAGLCXMIVOLFJJ-XFFZJAGNSA-N

Chemical Structure

2D Structure

CAS: 94530-83-3

CID: 11830530

Formula: C12H12O3

MW: 204.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	204.22
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	204.078644241
Monoisotopic Mass	204.078644241
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	283
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-N0743-01	Senkyunolide A
MBS3612478-01	Senkyunolide