Basic information
- CAS
120-60-5- Standard SMILES
CNC(=O)Oc1ccc2c(c1)OCO2- InChIKey
GLYGYVWDYBENHG-UHFFFAOYSA-N- Molecular formula
- C9H9NO4
- Average molar mass
- 195.17 g/mol
- Monoisotopic mass
- 195.05315777
Names & identifiers
- Preferred name
- 1,3-Benzodioxol-5-ol, methylcarbamate
- IUPAC
- 1,3-benzodioxol-5-yl N-methylcarbamate
Names & synonyms
1,3-Benzodioxol-5-ol, methylcarbamate3,4-Methylenedioxyphenyl methylcarbamate120-60-5PKR64R31AFNSC 50221BRN 1347880NSC-50221UNII-PKR64R31AFCARBAMIC ACID, METHYL-, 3,4-METHYLENEDIOXYPHENYL ESTERDTXSID701526465-19-02-00533 (Beilstein Handbook Reference)1,3-BENZODIOXOL-5-OL, 5-(N-METHYLCARBAMATE)
Show more names
CARBAMIC ACID, METHYL-, 3,4-(METHYLENEDIOXY)PHENYL ESTERRefChem:72467DTXCID7075137SCHEMBL11695674NSC502212H-1,3-Benzodioxol-5-yl methylcarbamate
Database identifiers
- CAS
120-60-5- PubChem CID
- 8440
- DTXSID
DTXSID70152646- UNII
- PKR64R31AF
- Nikkaji
- J69.337E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…