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4-Hydroxybenzylideneacetone

CAT: 0572-TRC-H714790-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-H714790-5GSize:5 g
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CAS Number
3160-35-8
Synonyms
4-(p-Hydroxyphenyl)-3-buten-2-one; (4-Hydroxybenzylidene)acetone
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
O=C(C)/C=C/C1=CC=C(O)C=C1
Molecular Formula
C10H10O2
Molecular Weight
162.19
InChI
InChI=1S/C10H10O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h2-7,12H,1H3/b3-2+
Additionnal Information
IUPAC name: (E)-4-(4-hydroxyphenyl)but-3-en-2-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

p-Hydroxybenzalacetone

P-hydroxyphenylbut-3-ene-2-one is an enone in which a 4-hydroxyphenyl group is attached to the beta-carbon atom of but-3-en-2-one. It is a member of phenols and an enone.

CAS Number3160-35-8
PubChem CID796857
IUPAC Name(E)-4-(4-hydroxyphenyl)but-3-en-2-one
Molecular FormulaC10H10O2
Molecular Weight162.18
XLogP1.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity176
SMILES
CC(=O)/C=C/C1=CC=C(C=C1)O
InChI
InChI=1S/C10H10O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h2-7,12H,1H3/b3-2+
InChIKey
OCNIKEFATSKIBE-NSCUHMNNSA-N
Chemical Structure
2D Structure
2D structure of p-Hydroxybenzalacetone
CAS: 3160-35-8
CID: 796857
Formula: C10H10O2
MW: 162.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.18
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass162.068079557
Monoisotopic Mass162.068079557
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity176
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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