Basic information
- CAS
850374-95-7- Standard SMILES
COC(=O)c1ccc2c(C=O)cn(C(=O)OC(C)(C)C)c2c1- InChIKey
ZWBQQPNSHLBCRE-UHFFFAOYSA-N- Molecular formula
- C16H17NO5
- Average molar mass
- 303.31 g/mol
- Monoisotopic mass
- 303.11067264
Names & identifiers
- Preferred name
- 1-Tert-butyl 6-methyl 3-formyl-1h-indole-1,6-dicarboxylate
- IUPAC
- 1-O-tert-butyl 6-O-methyl 3-formylindole-1,6-dicarboxylate
- English name
- 1-TERT-BUTYL 6-METHYL 3-FORMYL-1H-INDOLE-1,6-DICARBOXYLATE
- Molecular formula
- C16H17NO5
- Molecular weight
- 303.31
Names & synonyms
850374-95-71-tert-butyl 6-methyl 3-formyl-1h-indole-1,6-dicarboxylate1-O-tert-butyl 6-O-methyl 3-formylindole-1,6-dicarboxylateMFCD067975001-(Tert-butyl) 6-methyl 3-formyl-1H-indole-1,6-dicarboxylate1H-Indole-1,6-dicarboxylicacid, 3-formyl-, 1-(1,1-dimethylethyl) 6-methyl esterSCHEMBL159024233-Formyl-6-(methoxycarbonyl)-1H-indole, N-BOC protectedDTXSID10427820ZWBQQPNSHLBCRE-UHFFFAOYSA-N1-TERT-BUTYL6-METHYL3-FORMYL-1H-INDOLE-1,6-DICARBOXYLATEAKOS027379146
Show more names
3-Formyl-indole-1,6-dicarboxylic acid 1-tert-butyl ester1H-Indole-1,6-dicarboxylic acid, 3-formyl-, 1-(1,1-dimethylethyl) 6-methyl ester
AS-9301DB-076219CS-0322334O1-tert-butyl O6-methyl 3-formylindole-1,6-dicarboxylate
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 456
Physicochemical properties
- Melting point
- 214 °C · 214 °C
- Boiling point
- 443.3 · 443.3±48.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- CAS DataBase Reference
- 850374 · 850374-95-7
- Hazard Note
- Harmful
- HS Code
- 2933998090 · 2933998090
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
- 2933998090
- hazard_note
- Harmful
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…