Organooxygen compounds
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Ethyl 2-cyanoacetoacetate
CAS: 634-55-9 Molecular Formula: C7H9NO3 Molecular Weight (g/mol): 155.15 MDL Number: MFCD00043487 InChI Key: NWOKVFOTWMZMHL-UHFFFAOYNA-N Synonym: ethyl 2-cyanoacetoacetate,ethyl 2-acetylcyanoacetate,ethyl a-cyanoacetoacetate,ethyl alpha-cyanoacetoacetate,butanoic acid, 2-cyano-3-oxo-, ethyl ester,ethyl2-acetylcyanoacetate,ethyl 2-cyano-3-oxo-butanoate,2-cyanoacetoacetic acid ethyl ester,2-cyano-3-oxo-butyric acid ethyl ester,zlchem 939 PubChem CID: 136455 ChEBI: CHEBI:51924 IUPAC Name: ethyl 2-cyano-3-oxobutanoate SMILES: CCOC(=O)C(C#N)C(C)=O
PubChem CID | 136455 |
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CAS | 634-55-9 |
Molecular Weight (g/mol) | 155.15 |
ChEBI | CHEBI:51924 |
MDL Number | MFCD00043487 |
SMILES | CCOC(=O)C(C#N)C(C)=O |
Synonym | ethyl 2-cyanoacetoacetate,ethyl 2-acetylcyanoacetate,ethyl a-cyanoacetoacetate,ethyl alpha-cyanoacetoacetate,butanoic acid, 2-cyano-3-oxo-, ethyl ester,ethyl2-acetylcyanoacetate,ethyl 2-cyano-3-oxo-butanoate,2-cyanoacetoacetic acid ethyl ester,2-cyano-3-oxo-butyric acid ethyl ester,zlchem 939 |
IUPAC Name | ethyl 2-cyano-3-oxobutanoate |
InChI Key | NWOKVFOTWMZMHL-UHFFFAOYNA-N |
Molecular Formula | C7H9NO3 |
3-Hydroxy-3-methyl-2-butanone, 90+%
CAS: 115-22-0 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00004460 InChI Key: BNDRWEVUODOUDW-UHFFFAOYSA-N Synonym: 3-hydroxy-3-methyl-2-butanone,3-methylacetoin,methylacetoin,2-butanone, 3-hydroxy-3-methyl,dimethylacetylcarbinol,2-hydroxy-2-methyl-3-butanone,2-methyl-2-hydroxybutan-3-one,1-hydroxy-1-methylethyl methyl ketone,3-hydroxy-3-methyl-butan-2-one,3-hydroxy-3-ethylbutanone PubChem CID: 8261 IUPAC Name: 3-hydroxy-3-methylbutan-2-one SMILES: CC(=O)C(C)(C)O
PubChem CID | 8261 |
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CAS | 115-22-0 |
Molecular Weight (g/mol) | 102.133 |
MDL Number | MFCD00004460 |
SMILES | CC(=O)C(C)(C)O |
Synonym | 3-hydroxy-3-methyl-2-butanone,3-methylacetoin,methylacetoin,2-butanone, 3-hydroxy-3-methyl,dimethylacetylcarbinol,2-hydroxy-2-methyl-3-butanone,2-methyl-2-hydroxybutan-3-one,1-hydroxy-1-methylethyl methyl ketone,3-hydroxy-3-methyl-butan-2-one,3-hydroxy-3-ethylbutanone |
IUPAC Name | 3-hydroxy-3-methylbutan-2-one |
InChI Key | BNDRWEVUODOUDW-UHFFFAOYSA-N |
Molecular Formula | C5H10O2 |
Hafnium tert-butoxide, 99.9% (metals basis excluding Zr), Zr< 0.5%
CAS: 2172-02-3 MDL Number: MFCD00070458
CAS | 2172-02-3 |
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MDL Number | MFCD00070458 |
2-Hydroxyacetophenone, 97+%
CAS: 582-24-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00041829 InChI Key: ZWVHTXAYIKBMEE-UHFFFAOYSA-N Synonym: 2-hydroxyacetophenone,benzoylcarbinol,glycolophenone,phenacyl alcohol,alpha-hydroxyacetophenone,2-hydroxy-1-phenylethan-1-one,ethanone, 2-hydroxy-1-phenyl,methanol, benzoyl,omega-hydroxyacetophenone,acetophenone, 2-hydroxy PubChem CID: 68490 ChEBI: CHEBI:28341 IUPAC Name: 2-hydroxy-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)CO
PubChem CID | 68490 |
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CAS | 582-24-1 |
Molecular Weight (g/mol) | 136.15 |
ChEBI | CHEBI:28341 |
MDL Number | MFCD00041829 |
SMILES | C1=CC=C(C=C1)C(=O)CO |
Synonym | 2-hydroxyacetophenone,benzoylcarbinol,glycolophenone,phenacyl alcohol,alpha-hydroxyacetophenone,2-hydroxy-1-phenylethan-1-one,ethanone, 2-hydroxy-1-phenyl,methanol, benzoyl,omega-hydroxyacetophenone,acetophenone, 2-hydroxy |
IUPAC Name | 2-hydroxy-1-phenylethanone |
InChI Key | ZWVHTXAYIKBMEE-UHFFFAOYSA-N |
Molecular Formula | C8H8O2 |
3-Pyridinemethanol, 98%
CAS: 100-55-0 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.13 MDL Number: MFCD00006407 InChI Key: MVQVNTPHUGQQHK-UHFFFAOYSA-N Synonym: 3-pyridinemethanol,nicotinyl alcohol,3-hydroxymethyl pyridine,3-pyridylmethanol,nicotinic alcohol,3-pyridylcarbinol,roniacol,pyridylcarbinol,3-pyridinylmethanol,pyridine-3-carbinol PubChem CID: 7510 IUPAC Name: pyridin-3-ylmethanol SMILES: OCC1=CC=CN=C1
PubChem CID | 7510 |
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CAS | 100-55-0 |
Molecular Weight (g/mol) | 109.13 |
MDL Number | MFCD00006407 |
SMILES | OCC1=CC=CN=C1 |
Synonym | 3-pyridinemethanol,nicotinyl alcohol,3-hydroxymethyl pyridine,3-pyridylmethanol,nicotinic alcohol,3-pyridylcarbinol,roniacol,pyridylcarbinol,3-pyridinylmethanol,pyridine-3-carbinol |
IUPAC Name | pyridin-3-ylmethanol |
InChI Key | MVQVNTPHUGQQHK-UHFFFAOYSA-N |
Molecular Formula | C6H7NO |
Malonamide, 98%
CAS: 108-13-4 Molecular Formula: C3H6N2O2 Molecular Weight (g/mol): 102.093 MDL Number: MFCD00008034 InChI Key: WRIRWRKPLXCTFD-UHFFFAOYSA-N Synonym: malonamide,malonodiamide,malondiamide,malonyldiamide,carboxamidoacetamide,malonic acid diamide,malonic diamide,unii-qvq8cng255,qvq8cng255,methane-1,1-dicarboxamide PubChem CID: 7911 IUPAC Name: propanediamide SMILES: C(C(=O)N)C(=O)N
PubChem CID | 7911 |
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CAS | 108-13-4 |
Molecular Weight (g/mol) | 102.093 |
MDL Number | MFCD00008034 |
SMILES | C(C(=O)N)C(=O)N |
Synonym | malonamide,malonodiamide,malondiamide,malonyldiamide,carboxamidoacetamide,malonic acid diamide,malonic diamide,unii-qvq8cng255,qvq8cng255,methane-1,1-dicarboxamide |
IUPAC Name | propanediamide |
InChI Key | WRIRWRKPLXCTFD-UHFFFAOYSA-N |
Molecular Formula | C3H6N2O2 |
3,4-Dimethoxy-3-cyclobutene-1,2-dione, 98%
CAS: 5222-73-1 Molecular Formula: C6H6O4 Molecular Weight (g/mol): 142.11 MDL Number: MFCD00101316 InChI Key: SZBNZTGCAMLMJY-UHFFFAOYSA-N PubChem CID: 123227 IUPAC Name: 3,4-dimethoxycyclobut-3-ene-1,2-dione SMILES: COC1=C(C(=O)C1=O)OC
PubChem CID | 123227 |
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CAS | 5222-73-1 |
Molecular Weight (g/mol) | 142.11 |
MDL Number | MFCD00101316 |
SMILES | COC1=C(C(=O)C1=O)OC |
IUPAC Name | 3,4-dimethoxycyclobut-3-ene-1,2-dione |
InChI Key | SZBNZTGCAMLMJY-UHFFFAOYSA-N |
Molecular Formula | C6H6O4 |
4-Acetyldiphenyl sulfone, 98%
CAS: 65085-83-8 Molecular Formula: C14H12O3S Molecular Weight (g/mol): 260.307 MDL Number: MFCD00209628 InChI Key: FGFHDNIGKVTTLC-UHFFFAOYSA-N Synonym: 4-acetyldiphenyl sulfone,1-4-phenylsulfonyl phenyl ethanone,1-4-benzenesulfonyl phenyl ethanone,4-acetyl diphenyl sulfone,1-4-phenylsulfonyl phenyl ethan-1-one,pubchem15334,4-acetyldiphenylsulfone,4-phenylsulfonyl acetophenone,phenyl 4-acetylphenyl sulfone PubChem CID: 265878 IUPAC Name: 1-[4-(benzenesulfonyl)phenyl]ethanone SMILES: CC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2
PubChem CID | 265878 |
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CAS | 65085-83-8 |
Molecular Weight (g/mol) | 260.307 |
MDL Number | MFCD00209628 |
SMILES | CC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2 |
Synonym | 4-acetyldiphenyl sulfone,1-4-phenylsulfonyl phenyl ethanone,1-4-benzenesulfonyl phenyl ethanone,4-acetyl diphenyl sulfone,1-4-phenylsulfonyl phenyl ethan-1-one,pubchem15334,4-acetyldiphenylsulfone,4-phenylsulfonyl acetophenone,phenyl 4-acetylphenyl sulfone |
IUPAC Name | 1-[4-(benzenesulfonyl)phenyl]ethanone |
InChI Key | FGFHDNIGKVTTLC-UHFFFAOYSA-N |
Molecular Formula | C14H12O3S |
4'-Hydroxy-3'-methylacetophenone, 98%
CAS: 876-02-8 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00002231 InChI Key: LXBHHIZIQVZGFN-UHFFFAOYSA-N Synonym: 4'-hydroxy-3'-methylacetophenone,4-hydroxy-3-methylacetophenone,1-4-hydroxy-3-methylphenyl ethanone,1-4-hydroxy-3-methylphenyl ethan-1-one,4-acetyl-2-methylphenol,ethanone, 1-4-hydroxy-3-methylphenyl,4-hydroxy-3-methyl acetophenone,1-4-hydroxy-3-methyl-phenyl-ethanone,1-acetyl-4-hydroxy-3-methylbenzene PubChem CID: 70135 SMILES: CC(=O)C1=CC=C(O)C(C)=C1
PubChem CID | 70135 |
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CAS | 876-02-8 |
Molecular Weight (g/mol) | 150.18 |
MDL Number | MFCD00002231 |
SMILES | CC(=O)C1=CC=C(O)C(C)=C1 |
Synonym | 4'-hydroxy-3'-methylacetophenone,4-hydroxy-3-methylacetophenone,1-4-hydroxy-3-methylphenyl ethanone,1-4-hydroxy-3-methylphenyl ethan-1-one,4-acetyl-2-methylphenol,ethanone, 1-4-hydroxy-3-methylphenyl,4-hydroxy-3-methyl acetophenone,1-4-hydroxy-3-methyl-phenyl-ethanone,1-acetyl-4-hydroxy-3-methylbenzene |
InChI Key | LXBHHIZIQVZGFN-UHFFFAOYSA-N |
Molecular Formula | C9H10O2 |
4,4'-Dimethylbenzil, 98%
CAS: 3457-48-5 Molecular Formula: C16H14O2 Molecular Weight (g/mol): 238.286 MDL Number: MFCD00008554 InChI Key: BCWCEHMHCDCJAD-UHFFFAOYSA-N Synonym: 4,4'-dimethylbenzil,1,2-di-p-tolylethane-1,2-dione,p-tolil,1,2-bis 4-methylphenyl ethane-1,2-dione,ethanedione, bis 4-methylphenyl,ethandione, bis p-tolyl,bis 4-methylphenyl ethane-1,2-dione,1,2-bis 4-methylphenyl-1,2-ethanedione,di-p-tolylethanedione,4,4/'-dimethylbenzil PubChem CID: 76996 IUPAC Name: 1,2-bis(4-methylphenyl)ethane-1,2-dione SMILES: CC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C
PubChem CID | 76996 |
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CAS | 3457-48-5 |
Molecular Weight (g/mol) | 238.286 |
MDL Number | MFCD00008554 |
SMILES | CC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C |
Synonym | 4,4'-dimethylbenzil,1,2-di-p-tolylethane-1,2-dione,p-tolil,1,2-bis 4-methylphenyl ethane-1,2-dione,ethanedione, bis 4-methylphenyl,ethandione, bis p-tolyl,bis 4-methylphenyl ethane-1,2-dione,1,2-bis 4-methylphenyl-1,2-ethanedione,di-p-tolylethanedione,4,4/'-dimethylbenzil |
IUPAC Name | 1,2-bis(4-methylphenyl)ethane-1,2-dione |
InChI Key | BCWCEHMHCDCJAD-UHFFFAOYSA-N |
Molecular Formula | C16H14O2 |
3-Nonen-2-one, 96%
CAS: 14309-57-0 Molecular Formula: C9H16O Molecular Weight (g/mol): 140.23 MDL Number: MFCD00010241 InChI Key: HDKLIZDXVUCLHQ-BQYQJAHWSA-N Synonym: 3-nonen-2-one,trans-3-nonen-2-one,e-non-3-en-2-one,e-3-nonen-2-one,3-nonen-2-one, 3e,3e-3-nonen-2-one,3e-non-3-en-2-one,unii-fr0k39of16,3e-nonen-2-one,3-nonen-2-one fhfi PubChem CID: 5317045 SMILES: CCCCC\C=C\C(C)=O
PubChem CID | 5317045 |
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CAS | 14309-57-0 |
Molecular Weight (g/mol) | 140.23 |
MDL Number | MFCD00010241 |
SMILES | CCCCC\C=C\C(C)=O |
Synonym | 3-nonen-2-one,trans-3-nonen-2-one,e-non-3-en-2-one,e-3-nonen-2-one,3-nonen-2-one, 3e,3e-3-nonen-2-one,3e-non-3-en-2-one,unii-fr0k39of16,3e-nonen-2-one,3-nonen-2-one fhfi |
InChI Key | HDKLIZDXVUCLHQ-BQYQJAHWSA-N |
Molecular Formula | C9H16O |
Benzo-18-crown-6, 97%
CAS: 14098-24-9 Molecular Formula: C16H24O6 Molecular Weight (g/mol): 312.362 MDL Number: MFCD00062741 InChI Key: DSFHXKRFDFROER-UHFFFAOYSA-N PubChem CID: 585779 IUPAC Name: 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene SMILES: C1COCCOCCOC2=CC=CC=C2OCCOCCO1
PubChem CID | 585779 |
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CAS | 14098-24-9 |
Molecular Weight (g/mol) | 312.362 |
MDL Number | MFCD00062741 |
SMILES | C1COCCOCCOC2=CC=CC=C2OCCOCCO1 |
IUPAC Name | 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene |
InChI Key | DSFHXKRFDFROER-UHFFFAOYSA-N |
Molecular Formula | C16H24O6 |
4-Hydroxy-4-methyl-2-pentanone, 98+%
CAS: 123-42-2 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00004471 InChI Key: SWXVUIWOUIDPGS-UHFFFAOYSA-N Synonym: diacetone alcohol,4-hydroxy-4-methyl-2-pentanone,diacetonalkohol,diketone alcohol,diacetonalcohol,tyranton,acetonyldimethylcarbinol,diacetone-alcool,pyranton a,2-methyl-2-pentanol-4-one PubChem CID: 31256 ChEBI: CHEBI:55381 IUPAC Name: 4-hydroxy-4-methylpentan-2-one SMILES: CC(=O)CC(C)(C)O
PubChem CID | 31256 |
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CAS | 123-42-2 |
Molecular Weight (g/mol) | 116.16 |
ChEBI | CHEBI:55381 |
MDL Number | MFCD00004471 |
SMILES | CC(=O)CC(C)(C)O |
Synonym | diacetone alcohol,4-hydroxy-4-methyl-2-pentanone,diacetonalkohol,diketone alcohol,diacetonalcohol,tyranton,acetonyldimethylcarbinol,diacetone-alcool,pyranton a,2-methyl-2-pentanol-4-one |
IUPAC Name | 4-hydroxy-4-methylpentan-2-one |
InChI Key | SWXVUIWOUIDPGS-UHFFFAOYSA-N |
Molecular Formula | C6H12O2 |
3'-Bromopropiophenone, 97%
CAS: 19829-31-3 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.074 MDL Number: MFCD00000084 InChI Key: QSHLXVTVXQTHBS-UHFFFAOYSA-N Synonym: 3'-bromopropiophenone,1-3-bromophenyl propan-1-one,1-propanone, 1-3-bromophenyl,m-bromopropiophenone,1-3-bromophenyl-1-propanone,3-bromophenyl ethyl ketone,attercop-chm at106303,pubchem19020,acmc-209f2u PubChem CID: 88272 IUPAC Name: 1-(3-bromophenyl)propan-1-one SMILES: CCC(=O)C1=CC(=CC=C1)Br
PubChem CID | 88272 |
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CAS | 19829-31-3 |
Molecular Weight (g/mol) | 213.074 |
MDL Number | MFCD00000084 |
SMILES | CCC(=O)C1=CC(=CC=C1)Br |
Synonym | 3'-bromopropiophenone,1-3-bromophenyl propan-1-one,1-propanone, 1-3-bromophenyl,m-bromopropiophenone,1-3-bromophenyl-1-propanone,3-bromophenyl ethyl ketone,attercop-chm at106303,pubchem19020,acmc-209f2u |
IUPAC Name | 1-(3-bromophenyl)propan-1-one |
InChI Key | QSHLXVTVXQTHBS-UHFFFAOYSA-N |
Molecular Formula | C9H9BrO |
CAS | 2040-04-2 |
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MDL Number | MFCD00008729 |