Basic information
- CAS
17692-20-5- Standard SMILES
CC(O)(CC(=O)O)C1CCCCC1- InChIKey
MFERNRNDCJFIAS-UHFFFAOYSA-N- Molecular formula
- C10H18O3
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.12559443
Names & identifiers
- Preferred name
- Cyclobutoic Acid
- IUPAC
- 3-cyclohexyl-3-hydroxybutanoic acid
- English name
- Cyclobutoic
- Molecular formula
- C10H18O3
- Molecular weight
- 186.25
Names & synonyms
Cyclobutoic Acid17692-20-5Acide cyclobutoiqueAcidum cyclobutoicumAcido ciclobutoico86KE25F200beta-Hydroxy-beta-methylcyclohexanepropionic acid3-Hydroxy-3-cyclohexylbutyric acidRefChem:9193753-cyclohexyl-3-hydroxybutanoic acidMFCD00868826Cyclobutoinsaeure
Show more names
Cyclobutoic3-cyclohexyl-3-hydroxy-butyric acidβ-Hydroxy-β-methylcyclohexanepropionic acidCyclohexanepropanoic acid, β-hydroxy-β-methyl-
Acido cyclobutoicoCyclobutoic acid [INN:DCF]UNII-86KE25F200Acide cyclobutoique [INN-French]Acido cyclobutoico [INN-Spanish]Acidum cyclobutoicum [INN-Latin](RS)-3-Hydroxy-3-methyl-3-cyclohexylpropionsaeureCHEMBL52091
Database identifiers
- CAS
17692-20-5- PubChem CID
- 71889
- DTXSID
DTXSID40864789- ChEMBL
CHEMBL52091- UNII
- 86KE25F200
- Nikkaji
- J10.162A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Melting point
- 56 · 56-57 °C
- Boiling point
- 332.8 · 332.8±25.0 °C(Predicted)
- Density
- 1.129 · 1.129±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.36 · 4.36±0.10(Predicted)
- FDA UNII
- 86 KE25F200 · 86KE25F200
Chemistry & industry
Suppliers5 total
韶远科技（上海）有限公司4000665055 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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