Basic information
- CAS
299181-33-2- Standard SMILES
COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCOCC1- InChIKey
CIMGPVLMSMHBMD-UHFFFAOYSA-N- Molecular formula
- C12H15NO6S
- Average molar mass
- 301.32 g/mol
- Monoisotopic mass
- 301.06200837
Names & identifiers
- Preferred name
- 4-Methoxy-3-(morpholine-4-sulfonyl)benzoic acid
- IUPAC
- 4-methoxy-3-morpholin-4-ylsulfonylbenzoic acid
- English name
- 4-Methoxy-3-(morpholine-4-sulfonyl)-benzoic acid
- Molecular formula
- C12H15NO6S
- Molecular weight
- 301.32
Names & synonyms
299181-33-24-methoxy-3-(morpholine-4-sulfonyl)benzoic acid4-methoxy-3-(morpholinosulfonyl)benzoic acid4-Methoxy-3-(morpholine-4-sulfonyl)-benzoic acidMFCD007609114-methoxy-3-(morpholin-4-ylsulfonyl)benzoic acid4-methoxy-3-morpholin-4-ylsulfonylbenzoic acidCambridge id 5317836ASISCHEM C71505Oprea1_026559Oprea1_806338SCHEMBL3963711
Show more names
CIMGPVLMSMHBMD-UHFFFAOYSA-NSTK802718AKOS0001150414-methoxy-3-morpholinosulfonyl-benzoic acidDB-295441CS-0218278ST50235429EN300-00504
Database identifiers
- CAS
299181-33-2- PubChem CID
- 767913
- EC Number
- 173-399-3
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
上海林栎生物科技有限公司13761635123 · [email protected]
Related reactions
7 records
Compound notes
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