Basic information
- CAS
6530-30-9- Standard SMILES
Cc1cc2ccccc2c(=O)o1- InChIKey
KDNBBIYFOJMAEN-UHFFFAOYSA-N- Molecular formula
- C10H8O2
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.05242949
Names & identifiers
- Preferred name
- 3-methyl-1H-isochromen-1-one
- IUPAC
- 3-methylisochromen-1-one
Names & synonyms
3-methyl-1H-isochromen-1-one29539-21-73-METHYL-ISOCHROMEN-1-ONE6530-30-93-methylisochromen-1-one3-Methyl-1H-2-benzopyran-1-one3-methylisocoumarinSCHEMBL295232SCHEMBL295233SCHEMBL31604207DTXSID50983935AKOS000521783
Show more names
HS-4513E87816
Database identifiers
- CAS
6530-30-9- PubChem CID
- 2301657
- DTXSID
DTXSID50983935- Nikkaji
- J558.399C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 230
Chemistry & industry
Suppliers3 total
武汉布林科技有限公司3456065315 13260619011 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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