5-Methoxybenzofuran

CAT: 0024-sc-284648Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-284648Size:1 g

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CAS Number

13391-28-1

Chemical Information

5-Methoxybenzofuran

CAS Number	13391-28-1
PubChem CID	25943
IUPAC Name	5-methoxy-1-benzofuran
Molecular Formula	C9H8O2
Molecular Weight	148.16
XLogP	2.3
Topological Polar Surface Area	22.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	136

SMILES

COC1=CC2=C(C=C1)OC=C2

InChI

InChI=1S/C9H8O2/c1-10-8-2-3-9-7(6-8)4-5-11-9/h2-6H,1H3

InChIKey

JJXPTUWJVQUHKN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13391-28-1

CID: 25943

Formula: C9H8O2

MW: 148.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.16
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	148.052429494
Monoisotopic Mass	148.052429494
Topological Polar Surface Area	22.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	136
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
HY-N2678	5-Hydroxymethyl-7-methoxybenzofuran
OR470779	5-Bromo-7-methoxybenzofuran
OR1042274-01	5-Methoxybenzofuran-2-carbaldehyde
OR86665-01	4-Bromo-5-methoxybenzofuran
TN3076	5- (3-Hydroxypropyl) -7-methoxybenzofuran
OR94118-01	5-Methoxybenzofuran-3 (2H) -one
MBS5786962	5-(3-Hydroxypropyl)-7-methoxybenzofuran
OR78829-01	5-Methoxybenzofuran-3-carboxylic acid
OR76826-01	Methyl 5-methoxybenzofuran-2-carboxylate
OR941323-01	5-Methoxybenzofuran-2-carboxylic acid