HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178954792Generated: November 3, 2026
(1S,5S)-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid
(1S)-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid · (1S,5S)-3-OXabicyclo[3.1.0]hexane-1-carboxylic acid · (1S,5S)-3-Oxabicyclo[3.1.0]hexane-1-carboxylic acid - [X88632]
https://huagongshe.com/en/chemical/178954792
Identifiers & Physical Properties
| CAS No. | 1427158-38-0 |
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| Molecular formula | C6H8O3 |
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| Average molar mass | 128.13 g/mol |
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| SMILES | O=C(O)[C@]12COC[C@H]1C2 |
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| InChIKey | KXQPXWJVQITPAZ-INEUFUBQSA-N |
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Chemical & Physical Properties
| XLogP | -0.4 |
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| Topological polar surface area | 46.5 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 9 |
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| Formal charge | 0 |
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| Complexity | 166 |
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| Boiling point | 266.751±23.00 °C(Press: 760.00 Torr)(predicted) |
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| Density | 1.498±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
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| pKa (acidity coefficient) | 4.471±0.20(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 | P280-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 | P280-P305+P351+P338 |
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![(1S,5S)-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid molecular structure](/img/chemical/178954792.png)