Basic information
- Standard SMILES
COC(=O)CCc1ccco1- InChIKey
UXHQPGLQTVKTBI-UHFFFAOYSA-N- Molecular formula
- C8H10O3
- Average molar mass
- 154.16 g/mol
- Monoisotopic mass
- 154.06299418
Names & identifiers
- Preferred name
- Methyl 3-(2-furyl)propanoate
- IUPAC
- methyl 3-(furan-2-yl)propanoate
Names & synonyms
methyl 3-(2-furyl)propanoate37493-31-5DTXSID50294639RefChem:354636DTXCID60245778methyl 3-(furan-2-yl)propanoateNSC97519methyl 3-(2-furyl)propionate2-(2'-carbomethoxyethyl)furanSCHEMBL5883913SCHEMBL9411147methyl 3-(furan-2-yl)propanate
Show more names
Methyl 3-(furan-2-yl)propionateUXHQPGLQTVKTBI-UHFFFAOYSA-NNSC-97519AKOS008909720
Database identifiers
- CAS
37493-31-5- PubChem CID
- 263167
- DTXSID
DTXSID50294639- EC Number
- 102-088-7
- Nikkaji
- J464.789K
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 133
Safety & regulation
GHS classification
GHS Classification
Warning
H227 (100%): Combustible liquid [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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 CategoriesFlam. Liq. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Related reactions
9 records
Linked notes
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