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Basic information
- CAS
5650-07-7- Standard SMILES
CC(C)=CC(=O)c1ccccc1- InChIKey
WWCPWAFKPMAGTK-UHFFFAOYSA-N- Molecular formula
- C11H12O
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.088815
Names & identifiers
- Preferred name
- 2-Buten-1-one, 3-methyl-1-phenyl-
- IUPAC
- 3-methyl-1-phenylbut-2-en-1-one
- English name
- Phenyl(2-methyl-1-propenyl) ketone
- Molecular formula
- C11H12O
- Molecular weight
- 160.21
Names & synonyms
3-Methyl-1-phenyl-2-buten-1-one5650-07-72-Buten-1-one, 3-methyl-1-phenyl-DTXSID50205043NSC 142618RefChem:85947DTXCID501275343-methyl-1-phenylbut-2-en-1-onePhenyl(2-methyl-1-propenyl) ketoneNSC142618SCHEMBL566675WWCPWAFKPMAGTK-UHFFFAOYSA-N
Show more names
SeneciophenonePhenylisobutenyl ketone
3-methyl-l-phenyl-2-buten-1-one3-methyl-1-phenyl-2-butene-1-one3-methyl-1-phenyl-but-2-en-1-oneSTL564134AKOS017514541NSC-142618CS-0179407
Database identifiers
- CAS
5650-07-7- PubChem CID
- 97674
- DTXSID
DTXSID50205043- Nikkaji
- J13.399J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
Chemistry & industry
Suppliers2 total
JACS-郑州杰克斯化工产品有限公司0371-86259281 13223061139 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
6 records
Compound notes
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