Structure Info
- Chemspace ID
- CSSS00000723032 (In-Stock Screening Compounds)
- CAS
- 133609-87-7
- MFCD
- MFCD03426825
- IUPAC Name
- 3,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
- Mol formula
- C11H12O3
- Mol weight
- 192 Da
- Catalog Number(s)
- AA01BFYZ, AGN-PC-0WOSF8, AR01BGQR, AW13431, BB4LS-EN300-189180, BBV-42831559, BD00877161, CSC000723032, D478240, EN300-189180, FCG1914050852, HTS047252, IFA60987, Y3268626, Z1262519470
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.26
- Heavy atoms count
- 14
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.363
- Polar surface area (Å)
- 47
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSS00000723032
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