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Organooxygen compounds

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1,651 – 1,665 of 14,263 results
1,651

6-Methyl-3,5-heptadien-2-one, 97%

CAS: 1604-28-0 Molecular Formula: C8H12O Molecular Weight (g/mol): 124.183 MDL Number: MFCD00043647 InChI Key: KSKXSFZGARKWOW-GQCTYLIASA-N Synonym: 6-methyl-3,5-heptadien-2-one,6-methylhepta-3,5-dien-2-one,methylheptadienone,unii-p7cmp2e76c,3,5-heptadien-2-one, 6-methyl,3e-6-methylhepta-3,5-dien-2-one,3,5-heptadien-2-one, 6-methyl-, e,6-methyl-trans-3,5-heptadien-2-one,p7cmp2e76c,fema no. 3363 PubChem CID: 5370101 IUPAC Name: (3E)-6-methylhepta-3,5-dien-2-one SMILES: CC(=CC=CC(=O)C)C

PubChem CID 5370101
CAS 1604-28-0
Molecular Weight (g/mol) 124.183
MDL Number MFCD00043647
SMILES CC(=CC=CC(=O)C)C
Synonym 6-methyl-3,5-heptadien-2-one,6-methylhepta-3,5-dien-2-one,methylheptadienone,unii-p7cmp2e76c,3,5-heptadien-2-one, 6-methyl,3e-6-methylhepta-3,5-dien-2-one,3,5-heptadien-2-one, 6-methyl-, e,6-methyl-trans-3,5-heptadien-2-one,p7cmp2e76c,fema no. 3363
IUPAC Name (3E)-6-methylhepta-3,5-dien-2-one
InChI Key KSKXSFZGARKWOW-GQCTYLIASA-N
Molecular Formula C8H12O
1,652

1,1-Dibromo-3,3,3-trifluoroacetone, 95%

CAS: 431-67-4 Molecular Formula: C3HBr2F3O Molecular Weight (g/mol): 269.843 MDL Number: MFCD00041362 InChI Key: HEPPAPZASXFWTB-UHFFFAOYSA-N Synonym: 1,1-dibromo-3,3,3-trifluoroacetone,3,3-dibromo-1,1,1-trifluoroacetone,3,3-dibromo-1,1,1-trifluoro-propan-2-one,2-propanone, 3,3-dibromo-1,1,1-trifluoro,dibromotrifluoroaceton,pubchem12627,3,3-dibromotrifluoroacetone,ksc237m8t,l,l-dibromo-3,3,3-trifluoroacetone,1,1-di-bromo-3,3,3-trifluoroacetone PubChem CID: 550523 IUPAC Name: 3,3-dibromo-1,1,1-trifluoropropan-2-one SMILES: C(C(=O)C(F)(F)F)(Br)Br

PubChem CID 550523
CAS 431-67-4
Molecular Weight (g/mol) 269.843
MDL Number MFCD00041362
SMILES C(C(=O)C(F)(F)F)(Br)Br
Synonym 1,1-dibromo-3,3,3-trifluoroacetone,3,3-dibromo-1,1,1-trifluoroacetone,3,3-dibromo-1,1,1-trifluoro-propan-2-one,2-propanone, 3,3-dibromo-1,1,1-trifluoro,dibromotrifluoroaceton,pubchem12627,3,3-dibromotrifluoroacetone,ksc237m8t,l,l-dibromo-3,3,3-trifluoroacetone,1,1-di-bromo-3,3,3-trifluoroacetone
IUPAC Name 3,3-dibromo-1,1,1-trifluoropropan-2-one
InChI Key HEPPAPZASXFWTB-UHFFFAOYSA-N
Molecular Formula C3HBr2F3O
1,653

Cafestol from Coffee Beans, MP Biomedicals™

CAS: 469-83-0 Molecular Formula: C20H28O3 Molecular Weight (g/mol): 316.44 MDL Number: MFCD01075769 InChI Key: DNJVYWXIDISQRD-HWUKTEKMSA-N IUPAC Name: (1S,4S,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5(9),6-dien-17-ol SMILES: C[C@@]12CCC3=C(C=CO3)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3

CAS 469-83-0
Molecular Weight (g/mol) 316.44
MDL Number MFCD01075769
SMILES C[C@@]12CCC3=C(C=CO3)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3
IUPAC Name (1S,4S,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5(9),6-dien-17-ol
InChI Key DNJVYWXIDISQRD-HWUKTEKMSA-N
Molecular Formula C20H28O3
1,654

3-Phenylpropionaldehyde, 94.9%, MP Biomedicals™

CAS: 104-53-0 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 InChI Key: YGCZTXZTJXYWCO-UHFFFAOYSA-N Synonym: benzenepropanal,3-phenylpropionaldehyde,hydrocinnamaldehyde,hydrocinnamic aldehyde,dihydrocinnamaldehyde,benzylacetaldehyde,3-phenyl-1-propanal,3-phenylpropylaldehyde,3-phenylpropyl aldehyde,propanal, phenyl PubChem CID: 7707 IUPAC Name: 3-phenylpropanal SMILES: C1=CC=C(C=C1)CCC=O

PubChem CID 7707
CAS 104-53-0
Molecular Weight (g/mol) 134.178
SMILES C1=CC=C(C=C1)CCC=O
Synonym benzenepropanal,3-phenylpropionaldehyde,hydrocinnamaldehyde,hydrocinnamic aldehyde,dihydrocinnamaldehyde,benzylacetaldehyde,3-phenyl-1-propanal,3-phenylpropylaldehyde,3-phenylpropyl aldehyde,propanal, phenyl
IUPAC Name 3-phenylpropanal
InChI Key YGCZTXZTJXYWCO-UHFFFAOYSA-N
Molecular Formula C9H10O
1,655

1,3-Cyclohexanediol, cis + trans, 98%

CAS: 504-01-8 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00039458 InChI Key: RLMGYIOTPQVQJR-UHFFFAOYSA-N Synonym: 1,3-cyclohexanediol,resorcitol,1,3-dihydroxycyclohexane,1,3-benzenediol, hexahydro,cis-1,3-cyclohexandiol,trans-1,3-cyclohexanediol,trans-1,3-cyclohexanol,1,3-cyclohexanediol,c&t,acmc-209ll9,acmc-209po7 PubChem CID: 10433 IUPAC Name: cyclohexane-1,3-diol SMILES: C1CC(CC(C1)O)O

PubChem CID 10433
CAS 504-01-8
Molecular Weight (g/mol) 116.16
MDL Number MFCD00039458
SMILES C1CC(CC(C1)O)O
Synonym 1,3-cyclohexanediol,resorcitol,1,3-dihydroxycyclohexane,1,3-benzenediol, hexahydro,cis-1,3-cyclohexandiol,trans-1,3-cyclohexanediol,trans-1,3-cyclohexanol,1,3-cyclohexanediol,c&t,acmc-209ll9,acmc-209po7
IUPAC Name cyclohexane-1,3-diol
InChI Key RLMGYIOTPQVQJR-UHFFFAOYSA-N
Molecular Formula C6H12O2
1,656

ethyle4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate, 97%, Thermo Scientific™

CAS: 2199-64-6 Molecular Formula: C10H13NO3 Molecular Weight (g/mol): 195.22 MDL Number: MFCD00030384 InChI Key: CLJUICOFPKFFGJ-UHFFFAOYSA-N Synonym: 4-formyl-3,5-dimethyl-1h-pyrrole-2-carboxylic acid ethyl ester,ethyl 3,5-dimethyl-4-formylpyrrole-2-carboxylate,ethyl 4-formyl-3,5-dimethylpyrrole-2-carboxylate,2,4-dimethyl-3-formyl-5-carbethoxypyrrole,3,5-dimethyl-2-ethoxycarbonyl-4-formyl-1h-pyrrole,3,5-dimethyl-4-formylpyrrole-2-carboxylic acid ethyl ester,ethyl4-formyl-3,5-dimethyl-1h-pyrrole-2-carboxylate,1h-pyrrole-2-carboxylic acid, 4-formyl-3,5-dimethyl-, ethyl ester,1h-pyrrole-2-carboxylicacid,4-formyl-3,5-dimethyl-,ethyl ester,3,5-dimethyl-4-formyl-1h-pyrrole-2-carboxylic acid ethyl ester PubChem CID: 137486 IUPAC Name: ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate SMILES: CCOC(=O)C1=C(C)C(C=O)=C(C)N1

PubChem CID 137486
CAS 2199-64-6
Molecular Weight (g/mol) 195.22
MDL Number MFCD00030384
SMILES CCOC(=O)C1=C(C)C(C=O)=C(C)N1
Synonym 4-formyl-3,5-dimethyl-1h-pyrrole-2-carboxylic acid ethyl ester,ethyl 3,5-dimethyl-4-formylpyrrole-2-carboxylate,ethyl 4-formyl-3,5-dimethylpyrrole-2-carboxylate,2,4-dimethyl-3-formyl-5-carbethoxypyrrole,3,5-dimethyl-2-ethoxycarbonyl-4-formyl-1h-pyrrole,3,5-dimethyl-4-formylpyrrole-2-carboxylic acid ethyl ester,ethyl4-formyl-3,5-dimethyl-1h-pyrrole-2-carboxylate,1h-pyrrole-2-carboxylic acid, 4-formyl-3,5-dimethyl-, ethyl ester,1h-pyrrole-2-carboxylicacid,4-formyl-3,5-dimethyl-,ethyl ester,3,5-dimethyl-4-formyl-1h-pyrrole-2-carboxylic acid ethyl ester
IUPAC Name ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
InChI Key CLJUICOFPKFFGJ-UHFFFAOYSA-N
Molecular Formula C10H13NO3
1,657

1-Benzothiophen-3-ylmethanol, 97%, Thermo Scientific™

CAS: 5381-24-8 Molecular Formula: C9H8OS Molecular Weight (g/mol): 164.22 MDL Number: MFCD02682007 InChI Key: UYGMKSKKGSUAHB-UHFFFAOYSA-N Synonym: benzo b thiophen-3-ylmethanol,benzo b thiophene-3-methanol,benzothien-3-ylmethanol,benzo,a thiophene-3-methanol,benzo b thiophen-3-yl methanol,1-benzothiophen-3-yl methanol,3-hydroxymethylbenzo b thiophene,benzo b thiophen-3-ylmethan-1-ol,3-hydroxymethyl benzo b thiophene PubChem CID: 2776342 SMILES: OCC1=CSC2=CC=CC=C12

PubChem CID 2776342
CAS 5381-24-8
Molecular Weight (g/mol) 164.22
MDL Number MFCD02682007
SMILES OCC1=CSC2=CC=CC=C12
Synonym benzo b thiophen-3-ylmethanol,benzo b thiophene-3-methanol,benzothien-3-ylmethanol,benzo,a thiophene-3-methanol,benzo b thiophen-3-yl methanol,1-benzothiophen-3-yl methanol,3-hydroxymethylbenzo b thiophene,benzo b thiophen-3-ylmethan-1-ol,3-hydroxymethyl benzo b thiophene
InChI Key UYGMKSKKGSUAHB-UHFFFAOYSA-N
Molecular Formula C9H8OS
1,658

4-Morpholinepropionitrile, 98+%

CAS: 4542-47-6 Molecular Formula: C7H12N2O Molecular Weight (g/mol): 140.186 MDL Number: MFCD00006178 InChI Key: WXVKGHVDWWXBJX-UHFFFAOYSA-N Synonym: 3-morpholinopropionitrile,3-morpholin-4-yl propanenitrile,3-4-morpholino propionitrile,4-morpholinepropanenitrile,cyanoethylmorpholine,4-morpholinepropionitrile,beta-morpholinopropionitrile,n-2-cyanoethyl morpholine,propionitrile, 3-morpholino,3-morpholinopropanenitrile PubChem CID: 78298 IUPAC Name: 3-morpholin-4-ylpropanenitrile SMILES: C1COCCN1CCC#N

PubChem CID 78298
CAS 4542-47-6
Molecular Weight (g/mol) 140.186
MDL Number MFCD00006178
SMILES C1COCCN1CCC#N
Synonym 3-morpholinopropionitrile,3-morpholin-4-yl propanenitrile,3-4-morpholino propionitrile,4-morpholinepropanenitrile,cyanoethylmorpholine,4-morpholinepropionitrile,beta-morpholinopropionitrile,n-2-cyanoethyl morpholine,propionitrile, 3-morpholino,3-morpholinopropanenitrile
IUPAC Name 3-morpholin-4-ylpropanenitrile
InChI Key WXVKGHVDWWXBJX-UHFFFAOYSA-N
Molecular Formula C7H12N2O
1,659

1,2-Propanediol, MilliporeSigma™

CAS: 57-55-6 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.095 InChI Key: DNIAPMSPPWPWGF-UHFFFAOYSA-N Synonym: 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost PubChem CID: 1030 ChEBI: CHEBI:16997 IUPAC Name: propane-1,2-diol SMILES: CC(CO)O

PubChem CID 1030
CAS 57-55-6
Molecular Weight (g/mol) 76.095
ChEBI CHEBI:16997
SMILES CC(CO)O
Synonym 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost
IUPAC Name propane-1,2-diol
InChI Key DNIAPMSPPWPWGF-UHFFFAOYSA-N
Molecular Formula C3H8O2
1,660

Methyl 5-acetylsalicylate, 98%

CAS: 16475-90-4 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00040924 InChI Key: XLSMGNNWSRNTIQ-UHFFFAOYSA-N Synonym: methyl 5-acetylsalicylate,5-acetylsalicylic acid methyl ester,5-acetyl-2-hydroxybenzoic acid methyl ester,methyl 2-hydroxy-5-acetylbenzoate,benzoic acid, 5-acetyl-2-hydroxy-, methyl ester,5-acetyl methyl salicylate,methyl 5-acethylsalicylate,pubchem22504,methyl5-acetylsalicylate,methyl-5-acetylsalicylate PubChem CID: 85444 IUPAC Name: methyl 5-acetyl-2-hydroxybenzoate SMILES: CC(=O)C1=CC(=C(C=C1)O)C(=O)OC

PubChem CID 85444
CAS 16475-90-4
Molecular Weight (g/mol) 194.186
MDL Number MFCD00040924
SMILES CC(=O)C1=CC(=C(C=C1)O)C(=O)OC
Synonym methyl 5-acetylsalicylate,5-acetylsalicylic acid methyl ester,5-acetyl-2-hydroxybenzoic acid methyl ester,methyl 2-hydroxy-5-acetylbenzoate,benzoic acid, 5-acetyl-2-hydroxy-, methyl ester,5-acetyl methyl salicylate,methyl 5-acethylsalicylate,pubchem22504,methyl5-acetylsalicylate,methyl-5-acetylsalicylate
IUPAC Name methyl 5-acetyl-2-hydroxybenzoate
InChI Key XLSMGNNWSRNTIQ-UHFFFAOYSA-N
Molecular Formula C10H10O4
1,661

4'-Hydroxyoctanophenone, 99%

CAS: 2589-73-3 Molecular Formula: C14H20O2 Molecular Weight (g/mol): 220.31 MDL Number: MFCD00082694 InChI Key: GPDYSJOGSNWMDZ-UHFFFAOYSA-N Synonym: 4-octanoylphenol,1-4-hydroxyphenyl octan-1-one,4'-hydroxyoctanophenone,1-octanone, 1-4-hydroxyphenyl,octanophenone, 4'-hydroxy,unii-e2e77z6duk,e2e77z6duk,1-4-hydroxyphenyl-1-octanone PubChem CID: 75767 IUPAC Name: 1-(4-hydroxyphenyl)octan-1-one SMILES: CCCCCCCC(=O)C1=CC=C(O)C=C1

PubChem CID 75767
CAS 2589-73-3
Molecular Weight (g/mol) 220.31
MDL Number MFCD00082694
SMILES CCCCCCCC(=O)C1=CC=C(O)C=C1
Synonym 4-octanoylphenol,1-4-hydroxyphenyl octan-1-one,4'-hydroxyoctanophenone,1-octanone, 1-4-hydroxyphenyl,octanophenone, 4'-hydroxy,unii-e2e77z6duk,e2e77z6duk,1-4-hydroxyphenyl-1-octanone
IUPAC Name 1-(4-hydroxyphenyl)octan-1-one
InChI Key GPDYSJOGSNWMDZ-UHFFFAOYSA-N
Molecular Formula C14H20O2
1,662

1-Naphthalenemethanol, 98+%

CAS: 4780-79-4 Molecular Formula: C11H10O Molecular Weight (g/mol): 158.20 MDL Number: MFCD00004044 InChI Key: PBLNHHSDYFYZNC-UHFFFAOYSA-N Synonym: 1-naphthalenemethanol,1-naphthylmethanol,1-hydroxymethylnaphthalene,naphthalene-1-methanol,1-naphthalene methanol,1-menaphthyl alcohol,1-naphthylmethyl alcohol,naphthalen-1-yl-methanol,naphthalen-1-yl methanol,1-naphthylenemethanol PubChem CID: 20908 ChEBI: CHEBI:38137 IUPAC Name: naphthalen-1-ylmethanol SMILES: OCC1=C2C=CC=CC2=CC=C1

PubChem CID 20908
CAS 4780-79-4
Molecular Weight (g/mol) 158.20
ChEBI CHEBI:38137
MDL Number MFCD00004044
SMILES OCC1=C2C=CC=CC2=CC=C1
Synonym 1-naphthalenemethanol,1-naphthylmethanol,1-hydroxymethylnaphthalene,naphthalene-1-methanol,1-naphthalene methanol,1-menaphthyl alcohol,1-naphthylmethyl alcohol,naphthalen-1-yl-methanol,naphthalen-1-yl methanol,1-naphthylenemethanol
IUPAC Name naphthalen-1-ylmethanol
InChI Key PBLNHHSDYFYZNC-UHFFFAOYSA-N
Molecular Formula C11H10O
1,663

1-Adamantanol, 99%

CAS: 768-95-6 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.237 MDL Number: MFCD00074729 InChI Key: VLLNJDMHDJRNFK-UHFFFAOYSA-N Synonym: 1-adamantanol,1-hydroxyadamantane,1-adamantol,adamantanol,tricyclo 3.3.1.1 3,7 decan-1-ol,tricyclo 3.3.1.1∼3,7∼ decan-1-ol,1-adamantanol 1-hydroxyadamantane,tricyclo 3.3.1.13,7 decan-1-ol,3r,5s,7s-adamantan-1-ol PubChem CID: 64152 IUPAC Name: adamantan-1-ol SMILES: C1C2CC3CC1CC(C2)(C3)O

PubChem CID 64152
CAS 768-95-6
Molecular Weight (g/mol) 152.237
MDL Number MFCD00074729
SMILES C1C2CC3CC1CC(C2)(C3)O
Synonym 1-adamantanol,1-hydroxyadamantane,1-adamantol,adamantanol,tricyclo 3.3.1.1 3,7 decan-1-ol,tricyclo 3.3.1.1∼3,7∼ decan-1-ol,1-adamantanol 1-hydroxyadamantane,tricyclo 3.3.1.13,7 decan-1-ol,3r,5s,7s-adamantan-1-ol
IUPAC Name adamantan-1-ol
InChI Key VLLNJDMHDJRNFK-UHFFFAOYSA-N
Molecular Formula C10H16O
1,664

(4-Methyl-2-phenyl-5-pyrimidinyl)methanol, 95%, Thermo Scientific™

CAS: 342405-27-0 Molecular Formula: C12H12N2O Molecular Weight (g/mol): 200.241 MDL Number: MFCD02682074 InChI Key: LXJHDOHHZSZIMJ-UHFFFAOYSA-N Synonym: 4-methyl-2-phenylpyrimidin-5-yl methanol,4-methyl-2-phenyl-5-pyrimidinyl methanol,5-pyrimidinemethanol,4-methyl-2-phenyl,4-methyl-2-phenylpyrimidin-5-yl methan-1-ol PubChem CID: 2776512 IUPAC Name: (4-methyl-2-phenylpyrimidin-5-yl)methanol SMILES: CC1=NC(=NC=C1CO)C2=CC=CC=C2

PubChem CID 2776512
CAS 342405-27-0
Molecular Weight (g/mol) 200.241
MDL Number MFCD02682074
SMILES CC1=NC(=NC=C1CO)C2=CC=CC=C2
Synonym 4-methyl-2-phenylpyrimidin-5-yl methanol,4-methyl-2-phenyl-5-pyrimidinyl methanol,5-pyrimidinemethanol,4-methyl-2-phenyl,4-methyl-2-phenylpyrimidin-5-yl methan-1-ol
IUPAC Name (4-methyl-2-phenylpyrimidin-5-yl)methanol
InChI Key LXJHDOHHZSZIMJ-UHFFFAOYSA-N
Molecular Formula C12H12N2O
1,665

3-(1H-Pyrazol-1-yl)benzaldehyde, ≥97%, Thermo Scientific™

CAS: 852227-92-0 Molecular Formula: C10H8N2O Molecular Weight (g/mol): 172.187 MDL Number: MFCD06740321 InChI Key: NKFXXJOWQSOGOF-UHFFFAOYSA-N PubChem CID: 7172309 IUPAC Name: 3-pyrazol-1-ylbenzaldehyde SMILES: C1=CC(=CC(=C1)N2C=CC=N2)C=O

PubChem CID 7172309
CAS 852227-92-0
Molecular Weight (g/mol) 172.187
MDL Number MFCD06740321
SMILES C1=CC(=CC(=C1)N2C=CC=N2)C=O
IUPAC Name 3-pyrazol-1-ylbenzaldehyde
InChI Key NKFXXJOWQSOGOF-UHFFFAOYSA-N
Molecular Formula C10H8N2O