1-(2-Hydroxy-5-methylphenyl)-3-phenylpropane-1,3-dione

CAS
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CAS
29976-82-7
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Catalog Number

ACM29976827

Product Name

1-(2-Hydroxy-5-methylphenyl)-3-phenylpropane-1,3-dione

Structure

CAS

29976-82-7

Category

Heterocyclic Organic Compound

Synonyms

DS-11578; I14-46254; 1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione; SR-01000209761-1; ZINC100015384; Oprea1_306488; DTXSID80353081; AC1Q5DEM; 1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione, 97%; KS-00000LRU;

IUPAC Name

1-(2-hydroxy-5-methylphenyl)-3-phenylpropane-1,3-dione;

Molecular Weight

254.285g/mol

Molecular Formula

C16H14O3;

Canonical SMILES

CC1=CC(=C(C=C1)O)C(=O)CC(=O)C2=CC=CC=C2;

InChI

InChI=1S/C16H14O3/c1-11-7-8-14(17)13(9-11)16(19)10-15(18)12-5-3-2-4-6-12/h2-9,17H,10H2,1H3;

InChI Key

OKAQJPKEOQHKKY-UHFFFAOYSA-N;

Complexity

331

Covalently-Bonded Unit Count

Exact Mass

254.094g/mol

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

254.094g/mol

Rotatable Bond Count

Topological Polar Surface Area

54.4A^2

MSDS

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COA

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Spec Sheet

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