Eriobofuran

CAT: 0926-XDA21806-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-XDA21806-01Size:1 mg

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CAS Number

97218-06-9

Smiles

COC1=C (C (=C2C (=C1) C3=CC=CC=C3O2) OC) O

Molecular Formula

C14H12O4

Molecular Weight

244.24 g/mol

Controlled

Chemical Information

Eriobofuran

Eriobofuran is a member of dibenzofurans.

CAS Number	97218-06-9
PubChem CID	178939
IUPAC Name	2,4-dimethoxydibenzofuran-3-ol
Molecular Formula	C14H12O4
Molecular Weight	244.24
XLogP	3.3
Topological Polar Surface Area	51.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	296

SMILES

COC1=C(C(=C2C(=C1)C3=CC=CC=C3O2)OC)O

InChI

InChI=1S/C14H12O4/c1-16-11-7-9-8-5-3-4-6-10(8)18-13(9)14(17-2)12(11)15/h3-7,15H,1-2H3

InChIKey

IPAVEOUAXMIIKX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 97218-06-9

CID: 178939

Formula: C14H12O4

MW: 244.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.24
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	244.07355886
Monoisotopic Mass	244.07355886
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	296
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
TN5680	Eriobofuran