Basic information
- CAS
147119-69-5- Standard SMILES
Cc1cccc(C=O)c1C=O- InChIKey
NNKWUQPMNHINIS-UHFFFAOYSA-N- Molecular formula
- C9H8O2
- Average molar mass
- 148.16 g/mol
- Monoisotopic mass
- 148.05242949
Names & identifiers
- Preferred name
- 3-Methylphthalaldehyde
- IUPAC
- 3-methylphthalaldehyde
- English name
- 1,2-Benzenedicarboxaldehyde, 3-methyl- (9CI)
- Molecular formula
- C9H8O2
- Molecular weight
- 148.16
Names & synonyms
3-Methylphthalaldehyde147119-69-51,2-Benzenedicarboxaldehyde, 3-methyl- (9CI)3-methylbenzene-1,2-dicarbaldehydeToluene-2,3-dicarboxaldehydeSCHEMBL548632SCHEMBL1698298SCHEMBL29956925DTXSID905972773-Methylbenzene-1,2-dicarboxaldehyde1,2-Benzenedicarboxaldehyde, 3-methyl-
Database identifiers
- CAS
147119-69-5- PubChem CID
- 19003698
- DTXSID
DTXSID90597277
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Boiling point
- 282.1 · 282.1±28.0 °C(Predicted)
- Density
- 1.148 · 1.148±0.06 g/cm3(Predicted)
- Hazard Codes
- Xi
- HS Code
- 2912290090 · 2912290090
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
- 2912290090
- hazard_code
- Xi
Chemistry & industry
Suppliers1 total
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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