Basic information
- CAS
51264-77-8- Standard SMILES
CC(Oc1cccc(C=O)c1)C(=O)O- InChIKey
RQNVJMDOWVHJHD-UHFFFAOYSA-N- Molecular formula
- C10H10O4
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.0579088
Names & identifiers
- Preferred name
- 2-(3-Formylphenoxy)propanoic acid
- IUPAC
- 2-(3-formylphenoxy)propanoic acid
- English name
- 2-(3-FORMYLPHENOXY)PROPANOIC ACID
- Molecular formula
- C10H10O4
- Molecular weight
- 194.18
Names & synonyms
2-(3-formylphenoxy)propanoic Acid51264-77-8RefChem:84240865-662-2MFCD03848135SCHEMBL1409135SCHEMBL72911772-(3-formylphenoxy)propanoicAcidDTXSID501299532BCA26477STK698486AKOS000104229
Show more names
ASISCHEM B51590Propanoic acid, 2-(3-formylphenoxy)-
AKOS016891644SY180359VS-09624CS-0453124EN300-59951Z111577188
Database identifiers
- CAS
51264-77-8- PubChem CID
- 2771925
- DTXSID
DTXSID501299532- EC Number
- 865-662-2
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Boiling point
- 362.2 · 362.2±17.0 °C(Predicted)
- Density
- 1.268 · 1.268±0.06 g/cm3(Predicted)
- pka
- 3.15 · 3.15±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 45
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers6 total
苏州合森医药科技有限公司17621975170; 17621975170 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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