(3E)-4-(3-Hydroxyphenyl)-3-buten-2-one
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Basic information
- CAS
22214-29-5- Standard SMILES
CC(=O)/C=C/c1cccc(O)c1- InChIKey
BQQMTVHCRIOEDO-AATRIKPKSA-N- Molecular formula
- C10H10O2
- Average molar mass
- 162.18 g/mol
- Monoisotopic mass
- 162.06807956
Names & identifiers
- Preferred name
- (3E)-4-(3-Hydroxyphenyl)-3-buten-2-one
- IUPAC
- (E)-4-(3-hydroxyphenyl)but-3-en-2-one
- English name
- (3E)-4-(3-Hydroxyphenyl)-3-buten-2-one
- Molecular formula
- C10H10O2
- Molecular weight
- 162.19
Names & synonyms
22214-29-5(3E)-4-(3-Hydroxyphenyl)-3-buten-2-one(E)-4-(3-hydroxyphenyl)but-3-en-2-one4-(3-hydroxyphenyl)but-3-en-2-one(3E)-4-(m-Hydroxyphenyl)-3-buten-2-one4-(3-HYDROXYPHENYL)-3-BUTEN-2-ONE(3E)-4-(3-Hydroxyphenyl)-3-buten-2-one (DISCONTINUED)starbld0033566SCHEMBL667194AKOS013592479DB-289875(3E)-4-(3-hydroxyphenyl)but-3-en-2-one
Show more names
3-Buten-2-one, 4-(3-hydroxyphenyl)-, (3E)-
4-(3'-hydroxyphenyl)-(e)-3-buten-2-oneEN300-1827203AE-562/43459153
Database identifiers
- CAS
22214-29-5- PubChem CID
- 12052584
- Nikkaji
- J1.903.400C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- form
- Solid
- color
- Yellow
Chemistry & industry
Applications
UsesIntermediate in the production of Warfarin metabolites
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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