4-methoxybenzo[d][1,3]dioxole

CAT: 0127-OR1085919Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

1817-95-4

MDL Number

MFCD00508367

Smiles

C1ccc (c2c1OCO2) OC

Chemical Information

4-Methoxybenzo[d][1,3]dioxole

CAS Number	1817-95-4
PubChem CID	592478
IUPAC Name	4-methoxy-1,3-benzodioxole
Molecular Formula	C8H8O3
Molecular Weight	152.15
XLogP	1.7
Topological Polar Surface Area	27.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	137

SMILES

COC1=CC=CC2=C1OCO2

InChI

InChI=1S/C8H8O3/c1-9-6-3-2-4-7-8(6)11-5-10-7/h2-4H,5H2,1H3

InChIKey

BJMPSYHNUKWPGQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1817-95-4

CID: 592478

Formula: C8H8O3

MW: 152.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.15
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	152.047344113
Monoisotopic Mass	152.047344113
Topological Polar Surface Area	27.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	137
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
OR1095680	5-methoxybenzo[d][1,3]dioxole
OR1032284-01	5-Methoxybenzo[d][1,3]dioxole-4-carbaldehyde
OR1088890-01	4-iodo-5-methoxybenzo[d][1,3]dioxole
OR1007613-01	4-Bromo-7-methoxybenzo[d][1,3]dioxole
OR1093484-01	5-methoxybenzo[d][1,3]dioxole-4-carboxylic acid
OR1087273-01	Ethyl 5-methoxybenzo[d][1,3]dioxole-4-carboxylate
OR1033412-01	5-Bromo-6-methoxybenzo[d][1,3]dioxole
OR1012081-01	7-Methoxybenzo[D][1,3]Dioxole-5-Carbaldehyde
OR1093619	6-methoxybenzo[d][1,3]dioxole-5-carboxylic acid
OR350496-01	4-Iodobenzo[d][1,3]dioxole

Catalog	Name
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AR-P01268-01	Benzo[d]-1,3-dioxole
TRC-M760890-50MG	2-Methoxybenzo[d][1,3]dioxol-4-ol
435704-01	5-Bromo-4-fluorobenzo[d][1,3]dioxole
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