Structure Info
- Chemspace ID
- CSSS00011010076 (In-Stock Screening Compounds)
- CAS
- 1823868-01-4, 85960-55-0
- MFCD
- MFCD27976175
- IUPAC Name
- 1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbaldehyde
- Mol formula
- C10H8O3
- Mol weight
- 176 Da
- Catalog Number(s)
- ArZ-UP477513, BBV-55266896, BC51395, CSC011010076, EN300-8331578, FCH2512087, Y3285765, Z1862025073, ZX-NM296464, ZXC366843
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.53
- Heavy atoms count
- 13
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.2
- Polar surface area (Å)
- 43
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSS00011010076
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