
Organooxygen compounds
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2,5-Dimethyl-2,5-hexanediol, 97%, Thermo Scientific Chemicals
CAS: 110-03-2 Molecular Formula: C8H18O2 Molecular Weight (g/mol): 146.23 MDL Number: MFCD00004473 InChI Key: ZWNMRZQYWRLGMM-UHFFFAOYSA-N Synonym: 2,5-dimethyl-2,5-hexanediol,2,5-hexanediol, 2,5-dimethyl,unii-3pnb2s8721,1,1,4,4-tetramethyl-1,4-butanediol,2,5-dihydroxy-2,5-dimethylhexane,2,5-dimethyl-hexane-2,5-diol,dimethylhexanediol,dsstox_cid_6830,dsstox_rid_78222,dsstox_gsid_26830 PubChem CID: 8031 IUPAC Name: 2,5-dimethylhexane-2,5-diol SMILES: CC(C)(O)CCC(C)(C)O

PubChem CID | 8031 |
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CAS | 110-03-2 |
Molecular Weight (g/mol) | 146.23 |
MDL Number | MFCD00004473 |
SMILES | CC(C)(O)CCC(C)(C)O |
Synonym | 2,5-dimethyl-2,5-hexanediol,2,5-hexanediol, 2,5-dimethyl,unii-3pnb2s8721,1,1,4,4-tetramethyl-1,4-butanediol,2,5-dihydroxy-2,5-dimethylhexane,2,5-dimethyl-hexane-2,5-diol,dimethylhexanediol,dsstox_cid_6830,dsstox_rid_78222,dsstox_gsid_26830 |
IUPAC Name | 2,5-dimethylhexane-2,5-diol |
InChI Key | ZWNMRZQYWRLGMM-UHFFFAOYSA-N |
Molecular Formula | C8H18O2 |
2,4-Dichlorobenzaldehyde, 98%
CAS: 874-42-0 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.01 MDL Number: MFCD00003305 InChI Key: YSFBEAASFUWWHU-UHFFFAOYSA-N Synonym: benzaldehyde, 2,4-dichloro,unii-z08ql2124r,ccris 6013,2,4-dichloro benzaldehyde,2,4-dichloro-benzaldehyde,acmc-209qnb,dsstox_cid_2130,2,4 dichloro benzaldehyde,2,4-di-chlorobenzaldehyde,dsstox_rid_76500 PubChem CID: 13404 IUPAC Name: 2,4-dichlorobenzaldehyde SMILES: C1=CC(=C(C=C1Cl)Cl)C=O

PubChem CID | 13404 |
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CAS | 874-42-0 |
Molecular Weight (g/mol) | 175.01 |
MDL Number | MFCD00003305 |
SMILES | C1=CC(=C(C=C1Cl)Cl)C=O |
Synonym | benzaldehyde, 2,4-dichloro,unii-z08ql2124r,ccris 6013,2,4-dichloro benzaldehyde,2,4-dichloro-benzaldehyde,acmc-209qnb,dsstox_cid_2130,2,4 dichloro benzaldehyde,2,4-di-chlorobenzaldehyde,dsstox_rid_76500 |
IUPAC Name | 2,4-dichlorobenzaldehyde |
InChI Key | YSFBEAASFUWWHU-UHFFFAOYSA-N |
Molecular Formula | C7H4Cl2O |
3',4'-Dimethoxyacetophenone, 98%
CAS: 1131-62-0 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.2 MDL Number: MFCD00008737 InChI Key: IQZLUWLMQNGTIW-UHFFFAOYSA-N Synonym: 3',4'-dimethoxyacetophenone,1-3,4-dimethoxyphenyl ethanone,3,4-dimethoxyacetophenone,acetoveratrone,ethanone, 1-3,4-dimethoxyphenyl,1-3,4-dimethoxyphenyl ethan-1-one,3,4-dimethoxyphenyl methyl ketone,unii-5rv6436s8a,acetophenone, 3',4'-dimethoxy,acetophenone,4'-dimethoxy PubChem CID: 14328 ChEBI: CHEBI:86576 IUPAC Name: 1-(3,4-dimethoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)OC)OC

PubChem CID | 14328 |
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CAS | 1131-62-0 |
Molecular Weight (g/mol) | 180.2 |
ChEBI | CHEBI:86576 |
MDL Number | MFCD00008737 |
SMILES | CC(=O)C1=CC(=C(C=C1)OC)OC |
Synonym | 3',4'-dimethoxyacetophenone,1-3,4-dimethoxyphenyl ethanone,3,4-dimethoxyacetophenone,acetoveratrone,ethanone, 1-3,4-dimethoxyphenyl,1-3,4-dimethoxyphenyl ethan-1-one,3,4-dimethoxyphenyl methyl ketone,unii-5rv6436s8a,acetophenone, 3',4'-dimethoxy,acetophenone,4'-dimethoxy |
IUPAC Name | 1-(3,4-dimethoxyphenyl)ethanone |
InChI Key | IQZLUWLMQNGTIW-UHFFFAOYSA-N |
Molecular Formula | C10H12O3 |
3-Pentyn-1-ol, 99%
CAS: 10229-10-4 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.12 MDL Number: MFCD00002956 InChI Key: IDYNOORNKYEHHO-UHFFFAOYSA-N Synonym: 3-pentyn-1-ol,3-pentynol,acmc-1bxad PubChem CID: 66295 IUPAC Name: pent-3-yn-1-ol SMILES: CC#CCCO

PubChem CID | 66295 |
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CAS | 10229-10-4 |
Molecular Weight (g/mol) | 84.12 |
MDL Number | MFCD00002956 |
SMILES | CC#CCCO |
Synonym | 3-pentyn-1-ol,3-pentynol,acmc-1bxad |
IUPAC Name | pent-3-yn-1-ol |
InChI Key | IDYNOORNKYEHHO-UHFFFAOYSA-N |
Molecular Formula | C5H8O |
Cyclohexanemethanol, 99%
CAS: 100-49-2 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.19 InChI Key: VSSAZBXXNIABDN-UHFFFAOYSA-N Synonym: cyclohexanemethanol,cyclohexylcarbinol,hexahydrobenzyl alcohol,cyclohexanecarbinol,methanol, cyclohexyl,cyclohexylmethyl alcohol,benzyl alcohol, hexahydro,usaf do-49,hydroxymethylcyclohexane,hydroxymethyl cyclohexane PubChem CID: 7507 IUPAC Name: cyclohexylmethanol SMILES: C1CCC(CC1)CO

PubChem CID | 7507 |
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CAS | 100-49-2 |
Molecular Weight (g/mol) | 114.19 |
SMILES | C1CCC(CC1)CO |
Synonym | cyclohexanemethanol,cyclohexylcarbinol,hexahydrobenzyl alcohol,cyclohexanecarbinol,methanol, cyclohexyl,cyclohexylmethyl alcohol,benzyl alcohol, hexahydro,usaf do-49,hydroxymethylcyclohexane,hydroxymethyl cyclohexane |
IUPAC Name | cyclohexylmethanol |
InChI Key | VSSAZBXXNIABDN-UHFFFAOYSA-N |
Molecular Formula | C7H14O |
4-(Diethylamino)salicylaldehyde, 98%
CAS: 17754-90-4 Molecular Formula: C11H15NO2 Molecular Weight (g/mol): 193.24 InChI Key: XFVZSRRZZNLWBW-UHFFFAOYSA-N Synonym: 4-diethylamino salicylaldehyde,4-diethylamino-2-hydroxybenzaldehyde,4-diethylaminosalicylaldehyde,4-n,n-diethylamino salicylaldehyde,benzaldehyde, 4-diethylamino-2-hydroxy,p-diethylamino salicylaldehyde,unii-ou5nfu4681,2-hydroxy-4-diethylaminobenzaldehyde,4-n,n-diethylaminosalicylic aldehyde,4-diethylamino-2-hydroxy-benzaldehyde PubChem CID: 87293 IUPAC Name: 4-(diethylamino)-2-hydroxybenzaldehyde SMILES: CCN(CC)C1=CC(=C(C=C1)C=O)O

PubChem CID | 87293 |
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CAS | 17754-90-4 |
Molecular Weight (g/mol) | 193.24 |
SMILES | CCN(CC)C1=CC(=C(C=C1)C=O)O |
Synonym | 4-diethylamino salicylaldehyde,4-diethylamino-2-hydroxybenzaldehyde,4-diethylaminosalicylaldehyde,4-n,n-diethylamino salicylaldehyde,benzaldehyde, 4-diethylamino-2-hydroxy,p-diethylamino salicylaldehyde,unii-ou5nfu4681,2-hydroxy-4-diethylaminobenzaldehyde,4-n,n-diethylaminosalicylic aldehyde,4-diethylamino-2-hydroxy-benzaldehyde |
IUPAC Name | 4-(diethylamino)-2-hydroxybenzaldehyde |
InChI Key | XFVZSRRZZNLWBW-UHFFFAOYSA-N |
Molecular Formula | C11H15NO2 |
1,1,1-Trifluoro-2,4-pentanedione, 98%
CAS: 367-57-7 Molecular Formula: C5H5F3O2 Molecular Weight (g/mol): 154.09 MDL Number: MFCD00000427 InChI Key: SHXHPUAKLCCLDV-UHFFFAOYSA-N Synonym: 1,1,1-trifluoro-2,4-pentanedione,trifluoroacetylacetone,1,1,1-trifluoroacetylacetone,trifluoroacetyl acetone,acetyl trifluoroacetone,2,4-pentanedione, 1,1,1-trifluoro,tfpd-h,unii-9n20a8g8sw,alpha,alpha,alpha-trifluoroacetylacetone,a,a,a-trifluoroacetylacetone PubChem CID: 73943 IUPAC Name: 1,1,1-trifluoropentane-2,4-dione SMILES: CC(=O)CC(=O)C(F)(F)F

PubChem CID | 73943 |
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CAS | 367-57-7 |
Molecular Weight (g/mol) | 154.09 |
MDL Number | MFCD00000427 |
SMILES | CC(=O)CC(=O)C(F)(F)F |
Synonym | 1,1,1-trifluoro-2,4-pentanedione,trifluoroacetylacetone,1,1,1-trifluoroacetylacetone,trifluoroacetyl acetone,acetyl trifluoroacetone,2,4-pentanedione, 1,1,1-trifluoro,tfpd-h,unii-9n20a8g8sw,alpha,alpha,alpha-trifluoroacetylacetone,a,a,a-trifluoroacetylacetone |
IUPAC Name | 1,1,1-trifluoropentane-2,4-dione |
InChI Key | SHXHPUAKLCCLDV-UHFFFAOYSA-N |
Molecular Formula | C5H5F3O2 |
Pyruvic aldehyde, 30-45 wt% solution in water
CAS: 78-98-8 Molecular Formula: C3H4O2 Molecular Weight (g/mol): 72.06 MDL Number: MFCD00006960 InChI Key: AIJULSRZWUXGPQ-UHFFFAOYSA-N Synonym: methylglyoxal,pyruvaldehyde,pyruvic aldehyde,acetylformaldehyde,acetylformyl,propanal, 2-oxo,2-ketopropionaldehyde,propanedione,propanolone,methyl glyoxal PubChem CID: 880 ChEBI: CHEBI:17158 IUPAC Name: 2-oxopropanal SMILES: CC(=O)C=O

PubChem CID | 880 |
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CAS | 78-98-8 |
Molecular Weight (g/mol) | 72.06 |
ChEBI | CHEBI:17158 |
MDL Number | MFCD00006960 |
SMILES | CC(=O)C=O |
Synonym | methylglyoxal,pyruvaldehyde,pyruvic aldehyde,acetylformaldehyde,acetylformyl,propanal, 2-oxo,2-ketopropionaldehyde,propanedione,propanolone,methyl glyoxal |
IUPAC Name | 2-oxopropanal |
InChI Key | AIJULSRZWUXGPQ-UHFFFAOYSA-N |
Molecular Formula | C3H4O2 |
Ethyl butyrylacetate, 98%
CAS: 3249-68-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00009401 InChI Key: KQWWVLVLVYYYDT-UHFFFAOYSA-N Synonym: ethyl butyrylacetate,ethyl butyroacetate,hexanoic acid, 3-oxo-, ethyl ester,ethyl beta-ketohexanoate,ethyl alpha-butyrylacetate,3-ketohexanoic acid ethyl ester,ethyl-3-oxohexanoate,unii-8q1ahg710e,ethyl .alpha.-butyrylacetate,fema no. 3683 PubChem CID: 238498 ChEBI: CHEBI:18119 IUPAC Name: ethyl 3-oxohexanoate SMILES: CCCC(=O)CC(=O)OCC

PubChem CID | 238498 |
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CAS | 3249-68-1 |
Molecular Weight (g/mol) | 158.20 |
ChEBI | CHEBI:18119 |
MDL Number | MFCD00009401 |
SMILES | CCCC(=O)CC(=O)OCC |
Synonym | ethyl butyrylacetate,ethyl butyroacetate,hexanoic acid, 3-oxo-, ethyl ester,ethyl beta-ketohexanoate,ethyl alpha-butyrylacetate,3-ketohexanoic acid ethyl ester,ethyl-3-oxohexanoate,unii-8q1ahg710e,ethyl .alpha.-butyrylacetate,fema no. 3683 |
IUPAC Name | ethyl 3-oxohexanoate |
InChI Key | KQWWVLVLVYYYDT-UHFFFAOYSA-N |
Molecular Formula | C8H14O3 |
Ethyl 4,4,4-trifluoroacetoacetate, 97%
CAS: 372-31-6 Molecular Formula: C6H7F3O3 Molecular Weight (g/mol): 184.11 MDL Number: MFCD00000424 InChI Key: OCJKUQIPRNZDTK-UHFFFAOYSA-N Synonym: ethyl 4,4,4-trifluoroacetoacetate,ethyl trifluoroacetoacetate,butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester,4,4,4-trifluoro-3-oxobutanoic acid ethyl ester,ethyl trifluoroacetyl acetate,etfaa,4,4,4-trifluoroacetoacetic acid ethyl ester,ethyl-4,4,4-trifluoroacetoacetate,trifluoroacetoacetic acid ethyl ester,4,4,4-trifluoro-3-oxo-butyric acid ethyl ester PubChem CID: 67793 IUPAC Name: ethyl 4,4,4-trifluoro-3-oxobutanoate SMILES: CCOC(=O)CC(=O)C(F)(F)F

PubChem CID | 67793 |
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CAS | 372-31-6 |
Molecular Weight (g/mol) | 184.11 |
MDL Number | MFCD00000424 |
SMILES | CCOC(=O)CC(=O)C(F)(F)F |
Synonym | ethyl 4,4,4-trifluoroacetoacetate,ethyl trifluoroacetoacetate,butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester,4,4,4-trifluoro-3-oxobutanoic acid ethyl ester,ethyl trifluoroacetyl acetate,etfaa,4,4,4-trifluoroacetoacetic acid ethyl ester,ethyl-4,4,4-trifluoroacetoacetate,trifluoroacetoacetic acid ethyl ester,4,4,4-trifluoro-3-oxo-butyric acid ethyl ester |
IUPAC Name | ethyl 4,4,4-trifluoro-3-oxobutanoate |
InChI Key | OCJKUQIPRNZDTK-UHFFFAOYSA-N |
Molecular Formula | C6H7F3O3 |
Malonic acid, 99%
CAS: 141-82-2 Molecular Formula: C3H4O4 Molecular Weight (g/mol): 104.06 InChI Key: OFOBLEOULBTSOW-UHFFFAOYSA-N Synonym: malonic acid,dicarboxymethane,carboxyacetic acid,methanedicarboxylic acid,kyselina malonova,usaf ek-695,dicarboxylate,dicarboxylic acid,kyselina malonova czech,propanediolic acid PubChem CID: 867 ChEBI: CHEBI:30794 IUPAC Name: propanedioic acid SMILES: C(C(=O)O)C(=O)O

PubChem CID | 867 |
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CAS | 141-82-2 |
Molecular Weight (g/mol) | 104.06 |
ChEBI | CHEBI:30794 |
SMILES | C(C(=O)O)C(=O)O |
Synonym | malonic acid,dicarboxymethane,carboxyacetic acid,methanedicarboxylic acid,kyselina malonova,usaf ek-695,dicarboxylate,dicarboxylic acid,kyselina malonova czech,propanediolic acid |
IUPAC Name | propanedioic acid |
InChI Key | OFOBLEOULBTSOW-UHFFFAOYSA-N |
Molecular Formula | C3H4O4 |
2-Naphthaldehyde, 98%
CAS: 66-99-9 Molecular Formula: C11H8O Molecular Weight (g/mol): 156.18 MDL Number: MFCD00004094 InChI Key: PJKVFARRVXDXAD-UHFFFAOYSA-N Synonym: 2-naphthaldehyde,2-naphthalenecarboxaldehyde,2-formylnaphthalene,beta-naphthaldehyde,beta-formylnaphthalene,beta-naphthylaldehyde,beta-naphthylcarboxaldehyde,.beta.-naphthaldehyde,.beta.-naphthylaldehyde,.beta.-formylnaphthalene PubChem CID: 6201 ChEBI: CHEBI:52368 IUPAC Name: naphthalene-2-carbaldehyde SMILES: C1=CC=C2C=C(C=CC2=C1)C=O

PubChem CID | 6201 |
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CAS | 66-99-9 |
Molecular Weight (g/mol) | 156.18 |
ChEBI | CHEBI:52368 |
MDL Number | MFCD00004094 |
SMILES | C1=CC=C2C=C(C=CC2=C1)C=O |
Synonym | 2-naphthaldehyde,2-naphthalenecarboxaldehyde,2-formylnaphthalene,beta-naphthaldehyde,beta-formylnaphthalene,beta-naphthylaldehyde,beta-naphthylcarboxaldehyde,.beta.-naphthaldehyde,.beta.-naphthylaldehyde,.beta.-formylnaphthalene |
IUPAC Name | naphthalene-2-carbaldehyde |
InChI Key | PJKVFARRVXDXAD-UHFFFAOYSA-N |
Molecular Formula | C11H8O |
5-Nitroisatin, 97%
CAS: 611-09-6 Molecular Formula: C8H4N2O4 Molecular Weight (g/mol): 192.13 MDL Number: MFCD00005720 InChI Key: UNMYHYODJHKLOC-UHFFFAOYSA-N Synonym: 5-nitroisatin,5-nitroindoline-2,3-dione,5-nitroindole-2,3-dione,1h-indole-2,3-dione, 5-nitro,indole-2,3-dione, 5-nitro,isatin, 5-nitro,n-nitroisatin,ccris 4031,2,3-dihydro-5-nitroindole-2,3-dione,5-nitro-2,3-dihydro-1h-indole-2,3-dione PubChem CID: 4669250 IUPAC Name: 5-nitro-1H-indole-2,3-dione SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=O)N2

PubChem CID | 4669250 |
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CAS | 611-09-6 |
Molecular Weight (g/mol) | 192.13 |
MDL Number | MFCD00005720 |
SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=O)N2 |
Synonym | 5-nitroisatin,5-nitroindoline-2,3-dione,5-nitroindole-2,3-dione,1h-indole-2,3-dione, 5-nitro,indole-2,3-dione, 5-nitro,isatin, 5-nitro,n-nitroisatin,ccris 4031,2,3-dihydro-5-nitroindole-2,3-dione,5-nitro-2,3-dihydro-1h-indole-2,3-dione |
IUPAC Name | 5-nitro-1H-indole-2,3-dione |
InChI Key | UNMYHYODJHKLOC-UHFFFAOYSA-N |
Molecular Formula | C8H4N2O4 |
1-Naphthaldehyde, 95%
CAS: 66-77-3 Molecular Formula: C11H8O Molecular Weight (g/mol): 156.18 MDL Number: MFCD00004003 InChI Key: SQAINHDHICKHLX-UHFFFAOYSA-N Synonym: 1-naphthaldehyde,1-formylnaphthalene,1-naphthalenecarboxaldehyde,1-naphthylaldehyde,alpha-naphthal,alpha-naphthaldehyde,naphthaldehyde,.alpha.-naphthal,alpha-naphthylcarboxaldehyde,alpha-naphthylaldehyde PubChem CID: 6195 ChEBI: CHEBI:52367 IUPAC Name: naphthalene-1-carbaldehyde SMILES: O=CC1=C2C=CC=CC2=CC=C1

PubChem CID | 6195 |
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CAS | 66-77-3 |
Molecular Weight (g/mol) | 156.18 |
ChEBI | CHEBI:52367 |
MDL Number | MFCD00004003 |
SMILES | O=CC1=C2C=CC=CC2=CC=C1 |
Synonym | 1-naphthaldehyde,1-formylnaphthalene,1-naphthalenecarboxaldehyde,1-naphthylaldehyde,alpha-naphthal,alpha-naphthaldehyde,naphthaldehyde,.alpha.-naphthal,alpha-naphthylcarboxaldehyde,alpha-naphthylaldehyde |
IUPAC Name | naphthalene-1-carbaldehyde |
InChI Key | SQAINHDHICKHLX-UHFFFAOYSA-N |
Molecular Formula | C11H8O |
2-Pyridinecarboxaldehyde, 99%
CAS: 1121-60-4 Molecular Formula: C6H5NO Molecular Weight (g/mol): 107.11 MDL Number: MFCD00006290 InChI Key: CSDSSGBPEUDDEE-UHFFFAOYSA-N Synonym: 2-pyridinecarboxaldehyde,picolinaldehyde,pyridine-2-carboxaldehyde,2-formylpyridine,pyridine-2-aldehyde,picolinal,2-picolinaldehyde,2-pyridaldehyde,picolinic aldehyde,2-pyridylaldehyde PubChem CID: 14273 ChEBI: CHEBI:73012 IUPAC Name: pyridine-2-carbaldehyde SMILES: C1=CC=NC(=C1)C=O

PubChem CID | 14273 |
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CAS | 1121-60-4 |
Molecular Weight (g/mol) | 107.11 |
ChEBI | CHEBI:73012 |
MDL Number | MFCD00006290 |
SMILES | C1=CC=NC(=C1)C=O |
Synonym | 2-pyridinecarboxaldehyde,picolinaldehyde,pyridine-2-carboxaldehyde,2-formylpyridine,pyridine-2-aldehyde,picolinal,2-picolinaldehyde,2-pyridaldehyde,picolinic aldehyde,2-pyridylaldehyde |
IUPAC Name | pyridine-2-carbaldehyde |
InChI Key | CSDSSGBPEUDDEE-UHFFFAOYSA-N |
Molecular Formula | C6H5NO |