6,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Structure Info
- Chemspace ID
- CSSS00013213377 (In-Stock Screening Compounds)
- CAS
- 1549141-98-1, 1702400-61-0
- MFCD
- MFCD26026549, MFCD26026549
- IUPAC Name
- 6,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
- Mol formula
- C11H14O2S
- Mol weight
- 210 Da
- Catalog Number(s)
- A1136114, AR01DTKM, AX23370, BB4LS-EN300-832837, BBV-49280262, BD01095006, CSC013213377, EN300-832837, TX01DU1A, Y3288918, Z1601539106, ZLC14198, ZXC367454
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.58
- Heavy atoms count
- 14
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.545
- Polar surface area (Å)
- 37
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSS00013213377
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