Basic information
- CAS
13363-91-2- Standard SMILES
CC(C)C1CC(C(=O)O)C1- InChIKey
SIDXWUAGUXXTNA-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- Cyclobutanecarboxylic acid, 3-isopropyl-
- IUPAC
- 3-propan-2-ylcyclobutane-1-carboxylic acid
- English name
- 3-Isopropylcyclobutanecarboxylic acid
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
13363-91-23-Isopropyl-cyclobutanecarboxylic acid3-(1-Methylethyl)-cyclobutanecarboxylic acidCYCLOBUTANECARBOXYLIC ACID, 3-ISOPROPYL-DTXSID20158279RefChem:334933DTXCID70807703-isopropylcyclobutanecarboxylic acid3-propan-2-ylcyclobutane-1-carboxylic acid3-(propan-2-yl)cyclobutane-1-carboxylic acidMFCD017341883-ISOPROPYLCYCLOBUTANE-1-CARBOXYLIC ACID
Show more names
3-(prop-2-yl)cyclobutane-1-carboxylic acidCyclobutanecarboxylic acid, 3-(1-Methylethyl)-
cis-3-Isopropylcyclobutanecarboxylic acid17269-13-5Reaxys ID: 2433224SCHEMBL11462533SCHEMBL12304003SCHEMBL123858313-isopropylcyclobutanecarboxylicacidNAA36391
Database identifiers
- CAS
13363-91-2- PubChem CID
- 25923
- DTXSID
DTXSID20158279- Nikkaji
- J57.863K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Boiling point
- 222 ℃ · 222℃
- Density
- 1.05 · 1.050
- Flash point
- 105 ℃ · 105℃
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.79 · 4.79±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers28 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
谱尼生物医药科技（上海）有限公司021-021-64851999-6515-6515 13817808647 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
武汉开诺医药科技有限公司18040571231/1402788087
Candia Pharmatech Co. , Ltd.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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