Structure Info
- Chemspace ID
- CSSS00012271899 (In-Stock Screening Compounds)
- CAS
- 33223-78-8, 25458-44-0
- MFCD
- MFCD21198124, MFCD21198124
- IUPAC Name
- 1-methyl-2,3-dihydro-1H-indene-1-carboxylic acid
- Mol formula
- C11H12O2
- Mol weight
- 176 Da
- Catalog Number(s)
- A848081, AA01AF0A, AG01AF32, AGN-PC-0D5OH1, AR01AFS2, AV65526, ArZ-UP211344, BB4LS-EN300-151836, BBV-39895467, BD00847467, BD65526, BVV-820768243, CSC012271899, EN300-151836, G82943, HFC10348, IBA22378, PB1259394758, Y3199142, Z1259317290, ZB0719, ZX-NM184449, ZXC401064
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.76
- Heavy atoms count
- 13
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.363
- Polar surface area (Å)
- 37
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSS00012271899
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