3-Methyl-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid
Basic information
- CAS
103204-87-1- Standard SMILES
CC1Oc2ccccc2OC1C(=O)O- InChIKey
PBEHOGACXXHTFO-UHFFFAOYSA-N- Molecular formula
- C10H10O4
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.0579088
Names & identifiers
- Preferred name
- 3-Methyl-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid
- IUPAC
- 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
- English name
- 3-Methyl-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid
- Molecular formula
- C10H10O4
- Molecular weight
- 194.18
Names & synonyms
3-methyl-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid103204-87-1DTXSID30405084RefChem:280706DTXCID70355938963-056-32-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid3-methyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylic acidMFCD03069072F2165-0003AJ-292/15586015SCHEMBL11645792
Show more names
2,3-Dihydro-3-methyl-1,4-benzodioxin-2-carboxylic acid1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-3-methyl-2,3-Dihydro-3-methylbenzo[b][1,4]dioxin-2-carboxylic acid
SMSSF-0017777DEA20487STK926541AKOS000122868AKOS016050320EN300-14985F4959643-methyl-2,3-dihydro-1,4-benzodioxin-2-carboxylic acid
Database identifiers
- CAS
103204-87-1- PubChem CID
- 4639352
- DTXSID
DTXSID30405084- EC Number
- 963-056-3
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 228
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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