Basic information
- CAS
3506-84-1- Standard SMILES
CC(=O)CCc1cccc2ccccc12- InChIKey
VEYCCHNUJNXSRR-UHFFFAOYSA-N- Molecular formula
- C14H14O
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.10446507
Names & identifiers
- Preferred name
- 4-(1-Naphthyl)butan-2-one
- IUPAC
- 4-naphthalen-1-ylbutan-2-one
- English name
- 4-(1-naphthyl)butan-2-one
- Molecular formula
- C14H14O
- Molecular weight
- 198.26
Names & synonyms
4-(1-Naphthyl)butan-2-oneEINECS 222-503-63VX2UA4ECVDTXSID101885652-Butanone, 4-(1-naphthalenyl)-4-(1-NAPHTHALENYL)-2-BUTANONERefChem:96942DTXCID70111056222-503-63506-84-14-(NAPHTHALEN-1-YL)BUTAN-2-ONE4-naphthalen-1-ylbutan-2-one
Show more names
4-(1-Naphtyl)-2-butanone4-(A-NAPHTHYL)-2-BUTANONE
MFCD11553502starbld0036676UNII-3VX2UA4ECVSCHEMBL4070601SCHEMBL5609945SCHEMBL30258002VEYCCHNUJNXSRR-UHFFFAOYSA-NCS-0275914
Database identifiers
- CAS
3506-84-1- PubChem CID
- 77043
- DTXSID
DTXSID10188565- UNII
- 3VX2UA4ECV
- EC Number
- 222-503-6
- Nikkaji
- J216.158C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- FDA UNII
- 3 VX2UA4ECV · 3VX2UA4ECV
Chemistry & industry
Suppliers2 total
陕西缔都医药有限责任公司81148925 17391631969 · [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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