Basic information
- CAS
1846-29-3- Standard SMILES
CC(C(=O)c1ccccc1)C(=O)c1ccccc1- InChIKey
ONGBXISBKSVVFS-UHFFFAOYSA-N- Molecular formula
- C16H14O2
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.09937969
Names & identifiers
- Preferred name
- 1,3-Diphenyl-2-methyl-1,3-propandione
- IUPAC
- 2-methyl-1,3-diphenylpropane-1,3-dione
- English name
- 1,3-Propanedione,2-methyl-1,3-diphenyl-
- Molecular formula
- C16H14O2
- Molecular weight
- 238.28
Names & synonyms
1846-29-31,3-diphenyl-2-methyl-1,3-propandioneDTXSID00322613RefChem:219081DTXCID002737322-methyl-1,3-diphenylpropane-1,3-dioneDibenzoylethane2-methyl-1,3-diphenyl-1,3-propanedionedibenzoyl ethaneNSC401664CBMicro_047988Cambridge id 5136219
Show more names
1,3-Propanedione,2-methyl-1,3-diphenyl-
SCHEMBL1397470SCHEMBL9445781SCHEMBL28960147ONGBXISBKSVVFS-UHFFFAOYSA-NBAA84629NSC-401664BIM-0047933.P001DB-409802
Database identifiers
- CAS
1846-29-3- PubChem CID
- 344637
- DTXSID
DTXSID00322613- EC Number
- 106-146-2
- Nikkaji
- J454.920A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Melting point
- 84 · 84-85 °C
- Boiling point
- 396.8 · 396.8±25.0 °C(Predicted)
- Density
- 1.114 · 1.114±0.06 g/cm3(Predicted)
- pka
- 9.01 · 9.01±0.26(Predicted)
Chemistry & industry
Suppliers3 total
河南东元化工科技有限公司16696119288 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
4 records
Compound notes
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