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2-Methyl-1,3-benzodioxole

HCID 84167
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
14046-39-0
Standard SMILES
CC1Oc2ccccc2O1
InChIKey
AYEXQFUNWFFKAP-UHFFFAOYSA-N
Molecular formula
C8H8O2
Average molar mass
136.15 g/mol
Monoisotopic mass
136.05242949

Names & identifiers

Preferred name
2-Methyl-1,3-benzodioxole
IUPAC
2-methyl-1,3-benzodioxole
English name
2-methyl-1,3-benzodioxole
Molecular formula
C8H8O2
Molecular weight
136.14792

Names & synonyms

2-Methyl-1,3-benzodioxole14046-39-0EINECS 237-882-3RefChem:87963237-882-32-methylbenzo[d][1,3]dioxole2-METHYL-2H-1,3-BENZODIOXOLEmethylbenzo[d][1,3]dioxoleSCHEMBL353825SCHEMBL446185SCHEMBL2884153SCHEMBL2885054
Show more names
SCHEMBL3655783SCHEMBL15332947DTXSID10930844NS00052126

Database identifiers

CAS
14046-39-0
PubChem CID
84167
DTXSID
DTXSID10930844
EC Number
237-882-3
Nikkaji
J216.839A

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
10
Formal charge
0
Complexity
110

Chemistry & industry

Applications

Uses2-Methyl-1,3-benzodioxole has shown to have anti-microbial and antioxidant activity.

Suppliers3 total

山东风扬科技有限公司19285468033 19255465625
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

8 records
New reaction record
HRID 123833 reaction equation
HRID 123833As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 199376 reaction equation
HRID 199376As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 442637 reaction equation
HRID 442637As reactantuspto-grants-1999_04
HRID 650536 reaction equation
HRID 650536As reactantuspto-grants-2001_08
HRID 1288845 reaction equation
HRID 1288845As reactantuspto-grants-1998_05
HRID 1458520 reaction equation
HRID 1458520As reactantuspto-grants-1998_12
HRID 1841374 reaction equation
HRID 1841374As reactantuspto-grants-2004_01
HRID 1903150 reaction equation
HRID 1903150As reactantuspto-grants-1984_03

Compound notes

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