2-Hydroxy-5-methyl-1-indolinecarbaldehyde
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Basic information
- CAS
13303-69-0- Standard SMILES
Cc1ccc2c(c1)CC(O)N2C=O- InChIKey
VYMUHQSOVHVMAI-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 2-Hydroxy-5-methyl-1-indolinecarbaldehyde
- IUPAC
- 2-hydroxy-5-methyl-2,3-dihydroindole-1-carbaldehyde
- English name
- 2-Hydroxy-5-methyl-1-indolinecarbaldehyde
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.2
Names & synonyms
2-Hydroxy-5-methyl-1-indolinecarbaldehyde13303-69-0DTXSID40344975RefChem:261754DTXCID202960492-hydroxy-5-methyl-2,3-dihydroindole-1-carbaldehyde1-Indolinecarboxaldehyde, 2-hydroxy-5-methyl-2-hydroxy-5-methyl-2,3-dihydro-1H-indole-1-carbaldehydeVYMUHQSOVHVMAI-UHFFFAOYSA-N2-Hydroxy-5-methyl-1-indolinecarbaldehyde #2,3-Dihydro-2-hydroxy-5-methyl-1H-indole-1-carbaldehyde1H-Indole-1-carboxaldehyde, 2,3-dihydro-2-hydroxy-5-methyl-
Database identifiers
- CAS
13303-69-0- PubChem CID
- 600863
- DTXSID
DTXSID40344975- Nikkaji
- J113.627E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 387.7 · 387.7±42.0 °C(Predicted)
- Density
- 1.369 · 1.369±0.06 g/cm3(Predicted)
- pka
- 12.82 · 12.82±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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