Senkyunolide A 5mg

CAT: 0628-A14632-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A14632-5Size:5 mg

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CAS Number

62006-39-7

Chemical Information

3-N-Butyl-4,5-Dihydrophthalide

3-Butyl-4,5-dihydro-2-benzofuran-1(3H)-one has been reported in Angelica gigas, Apiaceae, and other organisms with data available.

CAS Number	62006-39-7
PubChem CID	173843
IUPAC Name	3-butyl-4,5-dihydro-3H-2-benzofuran-1-one
Molecular Formula	C12H16O2
Molecular Weight	192.25
XLogP	2.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	299

SMILES

CCCCC1C2=C(C=CCC2)C(=O)O1

InChI

InChI=1S/C12H16O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7,11H,2-4,6,8H2,1H3

InChIKey

ZPIKVDODKLJKIN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 62006-39-7

CID: 173843

Formula: C12H16O2

MW: 192.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.25
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	192.115029749
Monoisotopic Mass	192.115029749
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	299
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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