Basic information
- CAS
135191-75-2- Standard SMILES
O=C(O)CC12C3C4C5C3C1C5C42- InChIKey
GUEONBQYTUWHRR-UHFFFAOYSA-N- Molecular formula
- C10H10O2
- Average molar mass
- 162.18 g/mol
- Monoisotopic mass
- 162.06807956
Names & identifiers
- Preferred name
- 2-(Cuban-1-yl)acetic acid
- IUPAC
- 2-cuban-1-ylacetic acid
- English name
- 2-((2R,3R,5R,6R,7R,8R)-Cuban-1-yl)acetic acid
- Molecular formula
- C10H10O2
- Molecular weight
- 162.19
Names & synonyms
2-(cuban-1-yl)acetic acid135191-75-22-cuban-1-ylacetic acid2-((2r,3r,5r,6r,7r,8r)-cuban-1-yl)acetic acid50715-49-6NSC640890MFCD20653492Pentacyclo[4.2.0.02,5.03,8.04,7]oct-1-ylacetic acid2-Cuban-1-yl-acetic acidCHEMBL1981329SCHEMBL27102154KFA19175
Show more names
Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1-acetic acid
AKOS037621756NSC-640890NCI60_0136402-((1s,2R,3r,8S)-cuban-1-yl)acetic acidG70199EN300-7457217Z1262542285Pentacyclo[4.2.0.0~2,5~.0~3,8~.0~4,7~]oct-1-ylacetic acid
Database identifiers
- CAS
135191-75-2- PubChem CID
- 369184
- ChEMBL
CHEMBL1981329- EC Number
- 879-896-8
- Nikkaji
- J3.321.742K
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Boiling point
- 283.2 · 283.2±8.0 °C(Predicted)
- Density
- 1.744 · 1.744±0.06 g/cm3(Predicted)
- pka
- 4.71 · 4.71±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P362+P364
- HS Code
- 2916200090 · 2916200090
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
- hs_code
- 2916200090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P302+P352-P362+P364
Chemistry & industry
Suppliers4 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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