Basic information
- CAS
590395-59-8- Standard SMILES
COc1cc(Cl)cc(C=O)c1OC(C)C(=O)O- InChIKey
OURPQCNJIAYKOE-UHFFFAOYSA-N- Molecular formula
- C11H11ClO5
- Average molar mass
- 258.65 g/mol
- Monoisotopic mass
- 258.0295011
Names & identifiers
- Preferred name
- 2-(4-Chloro-2-formyl-6-methoxyphenoxy)propanoic acid
- IUPAC
- 2-(4-chloro-2-formyl-6-methoxyphenoxy)propanoic acid
- English name
- CHEMBRDG-BB 6698717
- Molecular formula
- C11H11ClO5
- Molecular weight
- 258.65
Names & synonyms
2-(4-chloro-2-formyl-6-methoxyphenoxy)propanoic acid590395-59-8DTXSID10395176RefChem:252086DTXCID40346035959-951-3MFCD04083024SCHEMBL25559082-(4-chloro-2-formyl-6-methoxy-phenoxy)propanoic AcidSTL380937AKOS000113142AKOS022060386
Show more names
CHEMBRDG-BB 6698717Propanoic acid, 2-(4-chloro-2-formyl-6-methoxyphenoxy)-2-(4-chloro-2-formyl-6-methoxyphenoxy)propanoic acid(SALTDATA: FREE)
SY423812CS-0116825EN300-655533G580622-(4-chloro-2-formyl-6-methoxyphenoxy)propanoicacidZ1682983767
Database identifiers
- CAS
590395-59-8- PubChem CID
- 3696524
- DTXSID
DTXSID10395176- EC Number
- 959-951-3
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
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%)
Chemistry & industry
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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