6-Hydroxy-7-methoxydihydroligustilide

CAT: 0926-KIA03609-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-KIA03609-01Size:10 mg

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CAS Number

210036-09-2

Smiles

CCCC=C1C2=C (C (C (CC2) O) OC) C (=O) O1

Molecular Formula

C13H18O4

Molecular Weight

238.28 g/mol

Controlled

Chemical Information

6-Hydroxy-7-methoxydihydroligustilide

CAS Number	210036-09-2
PubChem CID	44575249
IUPAC Name	(3Z)-3-butylidene-6-hydroxy-7-methoxy-4,5,6,7-tetrahydro-2-benzofuran-1-one
Molecular Formula	C13H18O4
Molecular Weight	238.28
XLogP	1.1
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	381

SMILES

CCC/C=C\1/C2=C(C(C(CC2)O)OC)C(=O)O1

InChI

InChI=1S/C13H18O4/c1-3-4-5-10-8-6-7-9(14)12(16-2)11(8)13(15)17-10/h5,9,12,14H,3-4,6-7H2,1-2H3/b10-5-

InChIKey

XJEUNELMMQEXLN-YHYXMXQVSA-N

Chemical Structure

2D Structure

CAS: 210036-09-2

CID: 44575249

Formula: C13H18O4

MW: 238.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	238.28
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	238.12050905
Monoisotopic Mass	238.12050905
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	381
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FAA73998-01	2-Hydroxy-6,7-dimethoxyquinoxaline
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YAA81484-01	6β-Chloro-7α-hydroxy-6,7-dihydro cyproterone acetate
AAA92014-01	7-Hydroxy-6,6-dimethylheptan-2-one
GNC24832-01	5-Hydroxy-6,7,8-trimethoxycoumarin
FH66329-01	6-Hydroxy-7-methoxy-4-phenylcoumarin
FA45295-01	6-Amino-7-hydroxy-4-methylcoumarin
FH183320-01	4-Hydroxy-7-methoxy-6-quinolinecarboxamide
DBA08286-01	2-Hydroxy-3,6,7-trimethylquinoxaline
RAA01776-01	2-Chloro-6-hydroxy-7-methylpurine

Catalog	Name
379333	6-Hydroxy-7-methoxydihydroligustilide
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GTR19279182-01	7-Hydroxy-6-isopentylcoumarin
TBZ1433	7-Hydroxy-6-hydromelodienone
OR22352-01	7-Hydroxy-6-methoxycoumarin
TBZ2376	5-Hydroxy-6,7-dimethoxylflavone
TBZ1424	6-Hydroxy-2,7-dimethoxyneoflavene
OR11190-01	2-Hydroxy-6,7-dimethoxyquinoxaline