Senkyunolide H

CAT: 1407-AB0052Size: 20 mgDry Ice: NoHazardous: No

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CAT#:1407-AB0052Size:20 mg

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CAS Number

94596-27-7

Purity

98% (HPLC)

Molecular Formula

C12H16O4

Molecular Weight

224.256

Chemical Information

Senkyunolide H

Senkyunolide h is a member of 2-benzofurans.

CAS Number	94596-27-7
PubChem CID	13965088
IUPAC Name	(3Z,6R,7S)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one
Molecular Formula	C12H16O4
Molecular Weight	224.25
XLogP	0.5
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	367

SMILES

CCC/C=C\1/C2=C([C@@H]([C@@H](CC2)O)O)C(=O)O1

InChI

InChI=1S/C12H16O4/c1-2-3-4-9-7-5-6-8(13)11(14)10(7)12(15)16-9/h4,8,11,13-14H,2-3,5-6H2,1H3/b9-4-/t8-,11-/m1/s1

InChIKey

DQNGMIQSXNGHOA-OBEBJBLMSA-N

Chemical Structure

2D Structure

CAS: 94596-27-7

CID: 13965088

Formula: C12H16O4

MW: 224.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	224.25
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	224.10485899
Monoisotopic Mass	224.10485899
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	367
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
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