Structure Info
- Chemspace ID
- CSMB00000006409 (Enamine MADE)
- CAS
- 583-04-0
- MFCD
- MFCD00026104
- IUPAC Name
- prop-2-en-1-yl benzoate
- Mol formula
- C10H10O2
- Mol weight
- 162 Da
- Catalog Number(s)
- 583-04-0, 7028AL, A019093629, A525284, A549605, AA003NMT, AAA58304, AB70497, ACDS-021544, ACM-MO-583040, ACM583040, ACM583040-1, ACM5830401, ADB67436002, AG003NPL, AG200056, AJ70497, AOS003NPL, AR003OEL, ArZ-UP088534, B2041, BB4LS-BD113071, BBV-38354121, BD113071, CD12058678, CM343726, CS-0205152, CSC000006409, CSCR00000076722, D699022, D88886, F635518, HY-W143123, INT-6045, J58451, JH354708, JH49047, LN01740642, OR919704, PV-005306102071, SAB-083270, WLZ1326, Y1045718, Z54336330, ZX-AE028235, s_1458_473642_8364046, s_1458____473642____8364046
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.71
- Heavy atoms count
- 12
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.1
- Polar surface area (Å)
- 26
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00000006409
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