(2E)-3-(1-benzofuran-5-yl)prop-2-enoic acid
Basic information
- CAS
1210059-73-6- Standard SMILES
O=C(O)/C=C/c1ccc2occc2c1- InChIKey
MXISLJRYQRFUPN-DUXPYHPUSA-N- Molecular formula
- C11H8O3
- Average molar mass
- 188.18 g/mol
- Monoisotopic mass
- 188.04734411
Names & identifiers
- Preferred name
- (2E)-3-(1-benzofuran-5-yl)prop-2-enoic acid
- IUPAC
- (E)-3-(1-benzofuran-5-yl)prop-2-enoic acid
Names & synonyms
1210059-73-6(2E)-3-(1-benzofuran-5-yl)prop-2-enoic acidRefChem:396370842-620-1(E)-3-(Benzofuran-5-yl)acrylic acid3-(1-benzofuran-5-yl)prop-2-enoic acidSCHEMBL4109483AKOS000365440EN300-1866113EN300-7444943Z1198181573
Database identifiers
- CAS
1210059-73-6- PubChem CID
- 23005307
- EC Number
- 842-620-1
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 247
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%)
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Related reactions
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Compound notes
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