| Phytochemical Name : 1,3-Benzodioxol-5-ol, methylcarbamate |
| PCNDIDOT0335 |
| Pubchem CID : 8440 |
| Molecular formula: C9H9NO4 |
| Canonical SMILES : CNC(=O)OC1=CC2=C(C=C1)OCO2 |
Synonymes : 1,3-Benzodioxol-5-ol, methylcarbamate|3,4-Methylenedioxyphenyl methylcarbamate|NSC 50221|120-60-5|BRN 1347880|PKR64R31AF|NSC-50221|CARBAMIC ACID, METHYL-, 3,4-METHYLENEDIOXYPHENYL ESTER|UNII-PKR64R31AF|SCHEMBL11695674|DTXSID70152646|NSC50221|LS-34776|3,4-Methylenedioxyphenyl=N-methylcarbamate|1,3-BENZODIOXOL-5-OL, 5-(N-METHYLCARBAMATE)|CARBAMIC ACID, METHYL-, 3,4-(METHYLENEDIOXY)PHENYL ESTER |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.100 |
| Log Po/w (XLOGP3) : 1.170 |
| Log Po/w (WLOGP) : 1.130 |
| Log Po/w (MLOGP) : 0.650 |
| Log Po/w (SILICOS-IT) : 0.940 |
| Consensus Log Po/w : 1.200 |