Basic information
- CAS
255865-29-3- Standard SMILES
COn1c2c(c3c4nonc4ccc31)CCCC2- InChIKey
XUEPYELDAHBGCR-UHFFFAOYSA-N- Molecular formula
- C13H13N3O2
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.10077667
Names & identifiers
- Preferred name
- 6-methoxy-7,8,9,10-tetrahydro-6H-[1,2,5]oxadiazolo[3,4-c]carbazole
- IUPAC
- 6-methoxy-7,8,9,10-tetrahydro-[1,2,5]oxadiazolo[3,4-c]carbazole
- English name
- 6-METHOXY-7,8,9,10-TETRAHYDRO-6H-[1,2,5]OXADIAZOLO[3,4-C]CARBAZOLE
- Molecular formula
- C13H13N3O2
- Molecular weight
- 243.26
Names & synonyms
255865-29-36-methoxy-7,8,9,10-tetrahydro-6H-[1,2,5]oxadiazolo[3,4-c]carbazole6-methoxy-7,8,9,10-tetrahydro-[1,2,5]oxadiazolo[3,4-c]carbazoleMLS000532367SMR000137325Maybridge3_0003966-Methoxy-7,8,9,10-tetrahydro-6H-1,2 5-oxadiazolo[3 4-c]carbazoleOprea1_250314Oprea1_781462CBDivE_013653cid_726977CHEMBL1596811
Show more names
6H-[1,2,5]Oxadiazolo[3,4-c]carbazole, 7,8,9,10-tetrahydro-6-methoxy-
BDBM83893DTXSID60352456HMS1432B22HMS2484P10MFCD00168557STK371730AKOS000676259IDI1_011783
Database identifiers
- CAS
255865-29-3- PubChem CID
- 726977
- DTXSID
DTXSID60352456- ChEMBL
CHEMBL1596811
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Melting point
- 118 · 118-120
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934999090
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…