Basic information
- CAS
473-47-2- Standard SMILES
CC1CCC(CC(=O)O)C1(C)C- InChIKey
ZSIJHYWOSUSCDZ-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- 2,2,3-Trimethylcyclopentaneacetic acid
- IUPAC
- 2-(2,2,3-trimethylcyclopentyl)acetic acid
- English name
- 2,2,3-trimethylcyclopentaneacetic acid
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
473-47-22,2,3-Trimethylcyclopentaneacetic acidEINECS 207-465-0NSC 96753RefChem:80843207-465-0J48M6U752VNSC-96753(2,2,3-trimethylcyclopentyl)acetic acid.alpha.-Campholanic acidUNII-J48M6U752VSCHEMBL5460347
Show more names
α-Campholanic acid2-(2,2,3-trimethylcyclopentyl)acetic acid(2,2,3-Trimethyl-cyclopentyl)-acetic acid2-(2,2,3-trimethylcyclopentyl)ethanoic acid
SCHEMBL5634431DTXSID70963794ZSIJHYWOSUSCDZ-UHFFFAOYSA-NNSC96753Cyclopentaneacetic acid, 2,2,3-trimethyl-NS00042873
Database identifiers
- CAS
473-47-2- PubChem CID
- 98284
- DTXSID
DTXSID70963794- UNII
- J48M6U752V
- EC Number
- 207-465-0
- Nikkaji
- J192.677B
Properties
Computed structural properties
- XLogP
- 2.8
- 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
- 184
Physicochemical properties
- Boiling point
- 253.1 · 253.1±8.0 °C(Predicted)
- Density
- 0.949 · 0.949±0.06 g/cm3(Predicted)
- pka
- 4.72 · 4.72±0.10(Predicted)
- FDA UNII
- 48 M6U752V · J48M6U752V
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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