Euparone

CAT: 0926-DCA94786-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-DCA94786-01Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

53947-86-7

MDL Number

MFCD18451231

Smiles

CC (=O) C1=CC2=CC (=C (C=C2O1) O) C (=O) C

Molecular Formula

C12H10O4

Molecular Weight

218.2 g/mol

Controlled

Chemical Information

Euparone

from Ruscus aculeatus L.; structure

CAS Number	53947-86-7
PubChem CID	104654
IUPAC Name	1-(5-acetyl-6-hydroxy-1-benzofuran-2-yl)ethanone
Molecular Formula	C12H10O4
Molecular Weight	218.20
XLogP	2.2
Topological Polar Surface Area	67.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	312

SMILES

CC(=O)C1=CC2=CC(=C(C=C2O1)O)C(=O)C

InChI

InChI=1S/C12H10O4/c1-6(13)9-3-8-4-11(7(2)14)16-12(8)5-10(9)15/h3-5,15H,1-2H3

InChIKey

FOXRXAILTBHLQA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53947-86-7

CID: 104654

Formula: C12H10O4

MW: 218.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.20
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	218.05790880
Monoisotopic Mass	218.05790880
Topological Polar Surface Area	67.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	312
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
AAA53248-01	Euparin

Catalog	Name
TN4036	Euparone