HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 237913Generated: October 27, 2026
3-(4-Acetoxyphenyl)propanoic acid
3-(4-Acetoxyphenyl) · 4-ACETOXYHYDROCINNAMIC ACID · 3-(4-Acetoxyphenyl)propanoic acid · β-(4-Acetoxyphenyl)propionic Acid · beta-(4-Acetoxyphenyl)propionic acid · Benzenepropanoic acid, 4-(acetyloxy)- · 3-[4-(acetyloxy)phenyl]propanoic acid
https://huagongshe.com/en/chemical/237913
Identifiers & Physical Properties
| CAS No. | 7249-16-3 |
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| Molecular formula | C11H12O4 |
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| Average molar mass | 208.21 g/mol |
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| Monoisotopic mass | 208.07355886 g/mol |
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| SMILES | CC(=O)Oc1ccc(CCC(=O)O)cc1 |
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| InChIKey | YQPHNMWXZLUIJX-UHFFFAOYSA-N |
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| PubChem CID | 237913 |
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| ChEBI | CHEBI:86581 |
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| DTXSID | DTXSID90285460 |
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Chemical & Physical Properties
| XLogP | 1.7 |
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| Topological polar surface area | 63.6 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 15 |
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| Formal charge | 0 |
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| Complexity | 229 |
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| Melting point | 94-95 °C(Solv: ligroine (8032-32-4)) |
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| Boiling point | 355.4±25.0 °C(Predicted) |
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| Density | 1.217±0.06 g/cm3(Predicted) |
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| Storage conditions | 2-8°C |
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| pKa (acidity coefficient) | 4.62±0.10(Predicted) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 |
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Safety & Regulations
| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 |
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