Structure Info
- Chemspace ID
- CSSB00028820282 (In-Stock Building Blocks)
- CAS
- 149382-38-7
- MFCD
- MFCD35438015
- IUPAC Name
- 1,3-dimethyl cubane-1,3-dicarboxylate
- Mol formula
- C12H12O4
- Mol weight
- 220 Da
- Catalog Number(s)
- BBV-506056, CSC028820282, EN300-156435, FCH6917886, ZX-NM316753
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -0.28
- Heavy atoms count
- 16
- Rotatable bond count
- 4
- Number of rings
- 5
- Carbon bond saturation, Fsp3
- 0.833
- Polar surface area (Å)
- 53
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSB00028820282
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