[4-Methoxy-3-(morpholine-4-sulfonyl)-phenyl]-acetic acid
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Basic information
- CAS
721418-09-3- Standard SMILES
COc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCOCC1- InChIKey
RPZLZRBTEXGDMP-UHFFFAOYSA-N- Molecular formula
- C13H17NO6S
- Average molar mass
- 315.34 g/mol
- Monoisotopic mass
- 315.07765844
Names & identifiers
- Preferred name
- [4-Methoxy-3-(morpholine-4-sulfonyl)-phenyl]-acetic acid
- IUPAC
- 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetic acid
- English name
- [4-METHOXY-3-(MORPHOLINE-4-SULFONYL)-PHENYL]-ACETIC ACID
- Molecular formula
- C13H17NO6S
- Molecular weight
- 315.34
Names & synonyms
721418-09-3[4-Methoxy-3-(morpholine-4-sulfonyl)-phenyl]-acetic acid2-[4-methoxy-3-(morpholine-4-sulfonyl)phenyl]acetic acid2-(4-Methoxy-3-(morpholinosulfonyl)phenyl)acetic acid2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetic acidMFCD03950764AKOS000116443SY135288CS-0219621EN300-04495G357854-Methoxy-3-(morpholinosulfonyl)phenylacetic Acid
Show more names
4-Methoxy-3-(4-morpholinylsulfonyl)benzeneacetic acid4-Methoxy-3-(morpholin-4-ylsulfonyl)-benzeneacetic acidBenzeneacetic acid, 4-methoxy-3-(4-morpholinylsulfonyl)-
F6425102-(4-Methoxy-3-(morpholinosulfonyl)phenyl)aceticacid2-(4-methoxy-3-morpholinosulfonyl-phenyl)acetic acidZ56862300
Database identifiers
- CAS
721418-09-3- PubChem CID
- 2396424
- EC Number
- 118-335-7
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 454
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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