2-Methylchroman-4-one
Basic information
- CAS
5631-75-4- Standard SMILES
CC1CC(=O)c2ccccc2O1- InChIKey
NCDSEQNSIBPEKG-UHFFFAOYSA-N- Molecular formula
- C10H10O2
- Average molar mass
- 162.18 g/mol
- Monoisotopic mass
- 162.06807956
Names & identifiers
- Preferred name
- 2-Methylchroman-4-one
- IUPAC
- 2-methyl-2,3-dihydrochromen-4-one
- English name
- 2-Methyl-2,3-dihydro-4H-1-benzopyran-4-one
- Molecular formula
- C10H10O2
- Molecular weight
- 162.19
Names & synonyms
2-methylchroman-4-one5631-75-42-methyl-3,4-dihydro-2H-1-benzopyran-4-one2,3-dihydro-2-methyl-4H-1-benzopyran-4-one2-methyl-2,3-dihydrochromen-4-oneNSC6655512-Methylchromanone2-Methyl-2,3-dihydro-4H-chromen-4-one2-methyl-4h-chroman-4-one4H-1-Benzopyran-4-one, 2,3-dihydro-2-methyl-SCHEMBL69392SCHEMBL7361033
Show more names
2-Methyl-2,3-dihydro-4H-1-benzopyran-4-oneMethanone,[6-(hydroxymethyl)phenyl]phenyl-
AKOS026733785NSC-665551DA-048402-Methyl-2,3-dihydro-4H-chromen-4-one #CS-0244959EN300-297261F660233
Database identifiers
- CAS
5631-75-4- PubChem CID
- 380147
- Nikkaji
- J81.063K
Properties
Computed structural properties
- XLogP
- 1.8
- 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
- 188
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
1 records
Compound notes
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