Structure Info
- Chemspace ID
- CSMB00009827858 (Enamine MADE)
- CAS
- 67127-91-7
- MFCD
- MFCD00156981, MFCD03425927
- IUPAC Name
- 2,5-bis(benzyloxy)benzoic acid
- Mol formula
- C21H18O4
- Mol weight
- 334 Da
- Catalog Number(s)
- 0322AC, 37445, 202218, 67127-91-7, A019094877, A111500, AA005QRD, AC015531, AC67861, ADB75592002, AG005QU5, AG116207, AK67861, AOS005QU5, AR005RJ5, ArZ-UP142231, BB4LS-BD34573, BBV-78005718, BD34573, CD12044440, CS-0156183, CSC009827858, D749528, DS-6710, F041283, FCH2718454, HY-W103541, LN00338896, R345256, SAB-055091, SCA12791, SY064333, X195154, Y0985922, ZXC111354
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.76
- Heavy atoms count
- 25
- Rotatable bond count
- 7
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.095
- Polar surface area (Å)
- 56
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00009827858
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