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Phenols

4'-Hydroxypropiophenone

PHY-NP-15545 · Natural product research catalog

Catalog numberPHY-NP-15545
CAS number70-70-2
Molecular formulaC9H10O2
Molecular weight150.177 g/mol
Chemical classPhenols
Main reported sourceCarya cathayensis
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of 4'-Hydroxypropiophenone

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Product information

4'-Hydroxypropiophenone is listed in the Phenols section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name1-(4-hydroxyphenyl)propan-1-one
SMILESCCC(=O)C1=CC=C(C=C1)O
InChIKeyRARSHUDCJQSEFJ-UHFFFAOYSA-N
Subclass / scaffold酚羟基×1
PubChem CID6271

Computed properties

Exact mass (Da)150.0681Predicted LogP1.9849
Predicted TPSA (Ų)37.3H-bond donors1
H-bond acceptors2Rotatable bonds2

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification
Ring count1
Aromatic rings1
Fraction Csp³0.222
Synthetic accessibility score1.6
QED score0.654
Lipinski rule violations0
NPClassifier pathwayShikimates and Phenylpropanoids
Parent SMILESCCC(=O)c1ccc(O)cc1
Parent formulaC9H10O2
Parent molecular weight150.177
Specified stereocenters0
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceCarya cathayensis
Reported source familiesJuglandaceae; Achariaceae; Apocynaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references
LOTUS / Wikidata speciesCarya cathayensis[1]; Hydnocarpus annamensis[1]; Plumeria rubra[1]
All reported source familiesJuglandaceae[1]; Achariaceae[1]; Apocynaceae[1]
LOTUS species records3
LOTUS reference records3
COCONUT occurrence recordsAcacia salicina; Acanthaster planci; Achillea wilhelmsii; Backhousia angustifolia; Blighia welwitschii; Calvatia lilacina; Carya cathayensis; Cunninghamia lanceolata var. konishii; Dioscorea villosa; Fructus galangae; Haliclona tubifera; Hydnocarpus annamensis; Io fluvialis; Juniperus ashei; Kalanchoe blossfeldiana; Plumeria rubra; Russula vesca; Sassafras officinalis; Setosphaeria turcica; Tanacetum nubigenum
COCONUT organism records20
COCONUT identifierCNP0353024.0

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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