3-(3,4-Dimethoxy-phenyl)-propynoic acid
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Basic information
- CAS
22511-06-4- Standard SMILES
COc1ccc(C#CC(=O)O)cc1OC- InChIKey
NFYMTYGXJXAZEG-UHFFFAOYSA-N- Molecular formula
- C11H10O4
- Average molar mass
- 206.19 g/mol
- Monoisotopic mass
- 206.0579088
Names & identifiers
- Preferred name
- 3-(3,4-Dimethoxy-phenyl)-propynoic acid
- IUPAC
- 3-(3,4-dimethoxyphenyl)prop-2-ynoic acid
- English name
- 3-(3,4-DIMETHOXY-PHENYL)-PROPYNOIC ACID
- Molecular formula
- C11H10O4
- Molecular weight
- 206.19
Names & synonyms
3-(3,4-DIMETHOXY-PHENYL)-PROPYNOIC ACIDRefChem:491438621-181-822511-06-43-(3,4-Dimethoxyphenyl)propiolic acid3-(3,4-dimethoxyphenyl)prop-2-ynoic Acid(3,4-Dimethoxy-phenyl)-propynoic acidMFCD002288543-(3,4-Dimethoxyphenyl)propiolicacidSCHEMBL2536982DTXSID20395329NFYMTYGXJXAZEG-UHFFFAOYSA-N
Show more names
3,4-Dimethoxyphenylpropiolic acid3-(3,4-Dimethoxyphenyl)-2-propynoic acid2-Propynoic acid, 3-(3,4-dimethoxyphenyl)-
AKOS0129502103,4-dimethoxyphenylacetylencarboxylic acidDB-098860
Database identifiers
- CAS
22511-06-4- PubChem CID
- 3708335
- DTXSID
DTXSID20395329- EC Number
- 621-181-8
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Melting point
- 154 ℃ · 154℃
- Boiling point
- 369 ℃ · 369℃
- Density
- 1.27 · 1.27
- Flash point
- 146 ℃ · 146℃
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
4 records
Compound notes
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