Organooxygen compounds
β-D-(-)-Fructose, MP Biomedicals™
CAS: 57-48-7 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-N Synonym: d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 PubChem CID: 5984 ChEBI: CHEBI:48095 IUPAC Name: (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O
Cholesterol, MP Biomedicals
CAS: 57-88-5 Molecular Formula: C27H46O Molecular Weight (g/mol): 386.664 InChI Key: HVYWMOMLDIMFJA-DPAQBDIFSA-N Synonym: cholesterol,cholesterin,cholest-5-en-3beta-ol,cholesteryl alcohol,cholestrin,cordulan,dusoline,dusoran,provitamin d,cholesterine PubChem CID: 5997 ChEBI: CHEBI:16113 IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
Prostaglandin E2 from Synthetic, MP Biomedicals™
CAS: 363-24-6 Molecular Formula: C20H32O5 Molecular Weight (g/mol): 352.47 MDL Number: MFCD00077861 InChI Key: XEYBRNLFEZDVAW-RTYMFESYNA-N Synonym: 5Z,11α,13E,15S]-11,15-Dihydroxy-9-oxoprosta-5,13-dien-1-oic acid,Dinoprostone,PGE₂
L-Ascorbic Acid ACS AR, Macron Fine Chemicals™
CAS: 50-81-7 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00064328 InChI Key: CIWBSHSKHKDKBQ-DOMZIZNONA-N Synonym: l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin PubChem CID: 54670067 ChEBI: CHEBI:29073 SMILES: OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
4-oxo-4-(2-thienyl)butanoic acid, Thermo Scientific™
CAS: 4653-08-1 Molecular Formula: C8H8O3S Molecular Weight (g/mol): 184.21 InChI Key: ULJMYWHLMLRYSO-UHFFFAOYSA-N Synonym: 3-2-thenoyl propionic acid,4-oxo-4-thiophen-2-yl butanoic acid,4-oxo-4-2-thienyl butanoic acid,4-oxo-4-2-thienyl butyric acid,3-2-thenoyl propanoic acid,4-thien-2-yl-4-oxobutyric acid,4-oxo-4-thien-2-yl butyric acid,4-thien-2-yl-4-oxobutanoic acid,4-oxo-4-thien-2-yl butanoic acid,4-oxo-4-thiophen-2-yl-butyric acid PubChem CID: 78385 ChEBI: CHEBI:64434 IUPAC Name: 4-oxo-4-thiophen-2-ylbutanoic acid SMILES: C1=CSC(=C1)C(=O)CCC(=O)O
5-Chloro-2-hydroxy-3-methylbenzaldehyde, 95%, Thermo Scientific™
CAS: 23602-63-3 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.592 MDL Number: MFCD00275687 InChI Key: NSKZAOKQZDLHGO-UHFFFAOYSA-N Synonym: benzaldehyde, 5-chloro-2-hydroxy-3-methyl,acmc-20am4p,2-hydroxy-3-methyl-5-chlorobenzaldehyde,5-chloro-2-hydroxy-3-methyl-benzaldehyde PubChem CID: 2774358 IUPAC Name: 5-chloro-2-hydroxy-3-methylbenzaldehyde SMILES: CC1=C(C(=CC(=C1)Cl)C=O)O
N1-(4-acetyl-3-hydroxyphenyl)acetamide, Thermo Scientific™
CAS: 40547-58-8 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.202 InChI Key: ZSSHNMZQDWSUJJ-UHFFFAOYSA-N Synonym: n-4-acetyl-3-hydroxyphenyl acetamide,n1-4-acetyl-3-hydroxyphenyl acetamide,4'-acetamido-2'-hydroxyacetophenone,acetamide, n-4-acetyl-3-hydroxyphenyl,4-acetamido-2-hydroxyacetophenone,n-4-acetyl-3-hydroxy-phenyl acetamide,n-4-acetyl-3-hydroxy-phenyl-acetamide PubChem CID: 2775185 IUPAC Name: N-(4-acetyl-3-hydroxyphenyl)acetamide SMILES: CC(=O)C1=C(C=C(C=C1)NC(=O)C)O
4-(2-Phenyleth-1-ynyl)thiophene-2-carbaldehyde, 97%, Thermo Scientific™
CAS: 175203-58-4 Molecular Formula: C13H8OS Molecular Weight (g/mol): 212.266 MDL Number: MFCD00174359 InChI Key: SAYKNBQCVYQQJF-UHFFFAOYSA-N Synonym: 4-2-phenyleth-1-ynyl thiophene-2-carbaldehyde,4-2-phenylethynyl thiophene-2-carbaldehyde,4-phenylethynyl-thiophene-2-carbaldehyde,4-phenylethynyl thiophene-2-carbaldehyde,2-thiophenecarboxaldehyde, 4-phenylethynyl,4-phenylethynyl thiophene-2-carboxaldehyde PubChem CID: 2737139 IUPAC Name: 4-(2-phenylethynyl)thiophene-2-carbaldehyde SMILES: C1=CC=C(C=C1)C#CC2=CSC(=C2)C=O
2-(1-Adamantyl)propan-2-ol, 97%, Thermo Scientific™
CAS: 775-64-4 Molecular Formula: C13H22O Molecular Weight (g/mol): 194.32 MDL Number: MFCD00167855 InChI Key: WBKAUEBLTWRERU-UHFFFAOYSA-N Synonym: 2-adamantan-1-yl-propan-2-ol,2-1-adamantyl propan-2-ol,2-adamantan-1-yl propan-2-ol,2-1-adamantyl-2-propanol,2-adamantanylpropan-2-ol,pubchem14445,maybridge1_005546,2-1-adamantly-2-propanol,2-1-adamantyl-propan-2-ol PubChem CID: 300814 SMILES: CC(C)(O)C12CC3CC(CC(C3)C1)C2
5-Aminoindan-1-one, 97%, Thermo Scientific™
CAS: 3470-54-0 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 InChI Key: HODOSJNSRPXYBH-UHFFFAOYSA-N Synonym: 5-aminoindan-1-one,5-amino-1-indanone,5-amino-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5-amino-2,3-dihydro,5-aminoindanone,5-amino-1-oxoindane,5-amino-indan-1-one,pubchem14476,5-amino-1-indanone #,5-azanyl-2,3-dihydroinden-1-one PubChem CID: 312890 IUPAC Name: 5-amino-2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=C1C=C(C=C2)N
Chromane-2-carboxylic acid, 97+%, Thermo Scientific™
CAS: 51939-71-0 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00044719 InChI Key: SFLFCQJQOIZMHF-UHFFFAOYNA-N Synonym: chromane-2-carboxylic acid,chroman-2-carboxylic acid,3,4-dihydro-2h-1-benzopyran-2-carboxylic acid,2h-1-benzopyran-2-carboxylic acid, 3,4-dihydro,2,3-dihydro-benzpyran-2-carboxylic acid,maybridge4_000177,2-carboxychroman,chroman carboxylic acid,pubchem14568,2-chroman-carboxylic acid PubChem CID: 2723665 IUPAC Name: 3,4-dihydro-2H-chromene-2-carboxylic acid SMILES: OC(=O)C1CCC2=CC=CC=C2O1
4-Bromo-1H-pyrazole-5-carbaldehyde, 95+%, Thermo Scientific™
CAS: 287917-97-9 Molecular Formula: C4H3BrN2O Molecular Weight (g/mol): 174.985 InChI Key: UWGFONONBAIDAF-UHFFFAOYSA-N Synonym: 4-bromo-1h-pyrazole-3-carbaldehyde,4-bromo-1h-pyrazole-5-carboxaldehyde,4-bromo-2h-pyrazole-3-carbaldehyde,4-bromo-1h-pyrazole-3-carboxaldehyde,1h-pyrazole-3-carboxaldehyde,4-bromo,1h-pyrazole-3-carboxaldehyde, 4-bromo,4-bromopyrazole-5-carbaldehyde,4-bromo-5-formyl-1h-pyrazole,4-bromo-pyrazole-3-carboxaldehyde,4-bromo-2h-pyrazole-3-carboxaldehyde PubChem CID: 2782154 IUPAC Name: 4-bromo-1H-pyrazole-5-carbaldehyde SMILES: C1=NNC(=C1Br)C=O
4-(2-Hydroxyethyl)benzonitrile, Thermo Scientific™
CAS: 69395-13-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 InChI Key: RBSJBNYPTGMZIH-UHFFFAOYSA-N Synonym: 4-2-hydroxyethyl benzonitrile,benzonitrile, 4-2-hydroxyethyl,2-4-cyanophenyl ethanol,2-4-cyanophenyl ethan-1-one,4-2-hydroxyethyl benzenecarbonitrile,4-cyanobenzeneethanol,p-cyanophenethylalcohol,p-cyanophenethyl alcohol,4-cyanophenethyl alcohol,acmc-20a4x6 PubChem CID: 2800815 IUPAC Name: 4-(2-hydroxyethyl)benzonitrile SMILES: C1=CC(=CC=C1CCO)C#N
3-(2-Bromoacetyl)benzonitrile, 95%, Thermo Scientific™
CAS: 50916-55-7 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.06 MDL Number: MFCD00833267 InChI Key: XWCGNFLHRINYCE-UHFFFAOYSA-N Synonym: 3-2-bromoacetyl benzonitrile,3-cyanophenacyl bromide,3-cyanophenacylbromide,2-bromo-3'-cyanoacetophenone,3-2-bromoacetyl benzenecarbonitrile,3-bromoacetyl benzonitrile,3-2-bromo-acetyl-benzonitrile,benzonitrile, 3-bromoacetyl,3-bromoacetyl-benzonitrile PubChem CID: 2735867 IUPAC Name: 3-(2-bromoacetyl)benzonitrile SMILES: BrCC(=O)C1=CC=CC(=C1)C#N
1-(1H-Pyrazol-5-yl)ethan-1-one hydrochloride, ≥95%, Thermo Scientific™
CAS: 175277-40-4 Molecular Formula: C5H7ClN2O Molecular Weight (g/mol): 146.574 MDL Number: MFCD00204160 InChI Key: MTFWBEDWXAHBNR-UHFFFAOYSA-N Synonym: 1-1h-pyrazol-5-yl ethan-1-one hydrochloride,1-1h-pyrazol-5-yl ethanone hydrochloride,1-1h-pyrazol-3-yl ethanone hydrochloride,1-2h-pyrazol-3-yl ethanone hydrochloride,5-acetyl-1h-pyrazole hydrochloride,5-acetylpyrazole, chloride,3-acetylpyrazole hydrochloride,5-acetylpyrazole hydrochloride,1-1h-pyrazol-5-yl-1-ethanone hydrochloride,1-1h-pyrazole-5-yl ethan-1-one hydrochloride PubChem CID: 2799623 IUPAC Name: 1-(1H-pyrazol-5-yl)ethanone;hydrochloride SMILES: CC(=O)C1=CC=NN1.Cl