
Organooxygen compounds
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2-Bromo-5-hydroxybenzaldehyde, 95%
CAS: 2973-80-0 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.02 MDL Number: MFCD03033065 InChI Key: SCRQAWQJSSKCFN-UHFFFAOYSA-N PubChem CID: 387179 IUPAC Name: 2-bromo-5-hydroxybenzaldehyde SMILES: OC1=CC(C=O)=C(Br)C=C1
PubChem CID | 387179 |
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CAS | 2973-80-0 |
Molecular Weight (g/mol) | 201.02 |
MDL Number | MFCD03033065 |
SMILES | OC1=CC(C=O)=C(Br)C=C1 |
IUPAC Name | 2-bromo-5-hydroxybenzaldehyde |
InChI Key | SCRQAWQJSSKCFN-UHFFFAOYSA-N |
Molecular Formula | C7H5BrO2 |
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 |
CAS | 2040-04-2 |
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MDL Number | MFCD00008729 |
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 |
3-Benzoyl-1,1,1-trifluoroacetone, 98+%
CAS: 326-06-7 Molecular Formula: C10H7F3O2 Molecular Weight (g/mol): 216.16 MDL Number: MFCD00000425 InChI Key: VVXLFFIFNVKFBD-UHFFFAOYSA-N Synonym: benzoyl-1,1,1-trifluoroacetone,benzoyltrifluoroacetone,4,4,4-trifluoro-1-phenyl-1,3-butanedione,benzoyl trifluoroacetyl methane,3-benzoyl-1,1,1-trifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-phenyl,4,4,4-trifluoro-1-phenyl-butane-1,3-dione,1-benzoyl-3,3,3-trifluoroacetone,.omega.-trifluoroacetyl acetophenone,1-benzoyl-3,3,3-trifluoro-2-propanone PubChem CID: 67589 IUPAC Name: 4,4,4-trifluoro-1-phenylbutane-1,3-dione SMILES: FC(F)(F)C(=O)CC(=O)C1=CC=CC=C1
PubChem CID | 67589 |
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CAS | 326-06-7 |
Molecular Weight (g/mol) | 216.16 |
MDL Number | MFCD00000425 |
SMILES | FC(F)(F)C(=O)CC(=O)C1=CC=CC=C1 |
Synonym | benzoyl-1,1,1-trifluoroacetone,benzoyltrifluoroacetone,4,4,4-trifluoro-1-phenyl-1,3-butanedione,benzoyl trifluoroacetyl methane,3-benzoyl-1,1,1-trifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-phenyl,4,4,4-trifluoro-1-phenyl-butane-1,3-dione,1-benzoyl-3,3,3-trifluoroacetone,.omega.-trifluoroacetyl acetophenone,1-benzoyl-3,3,3-trifluoro-2-propanone |
IUPAC Name | 4,4,4-trifluoro-1-phenylbutane-1,3-dione |
InChI Key | VVXLFFIFNVKFBD-UHFFFAOYSA-N |
Molecular Formula | C10H7F3O2 |
3,5-Dihydroxybenzaldehyde, 98%
CAS: 26153-38-8 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00016611 InChI Key: HAQLHRYUDBKTJG-UHFFFAOYSA-N Synonym: benzaldehyde, 3,5-dihydroxy,3,5-dihydroxy benzaldehyde,5-formylresorcinol,5-formylbenzene-1,3-diol,pubchem8249,alpha-resorcylic aldehyde,acmc-1cg7h,3,5-dihydoxybenzal dehyde,3,5-dihydroxy-benzaldehyde,.alpha.-resorcylic aldehyde PubChem CID: 94365 ChEBI: CHEBI:50204 IUPAC Name: 3,5-dihydroxybenzaldehyde SMILES: OC1=CC(C=O)=CC(O)=C1
PubChem CID | 94365 |
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CAS | 26153-38-8 |
Molecular Weight (g/mol) | 138.12 |
ChEBI | CHEBI:50204 |
MDL Number | MFCD00016611 |
SMILES | OC1=CC(C=O)=CC(O)=C1 |
Synonym | benzaldehyde, 3,5-dihydroxy,3,5-dihydroxy benzaldehyde,5-formylresorcinol,5-formylbenzene-1,3-diol,pubchem8249,alpha-resorcylic aldehyde,acmc-1cg7h,3,5-dihydoxybenzal dehyde,3,5-dihydroxy-benzaldehyde,.alpha.-resorcylic aldehyde |
IUPAC Name | 3,5-dihydroxybenzaldehyde |
InChI Key | HAQLHRYUDBKTJG-UHFFFAOYSA-N |
Molecular Formula | C7H6O3 |
Ethyl propionylacetate, 95%
CAS: 4949-44-4 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009317 InChI Key: UDRCONFHWYGWFI-UHFFFAOYSA-N Synonym: ethyl propionylacetate,ethyl 3-oxovalerate,ethyl 3-oxo-n-valerate,pentanoic acid, 3-oxo-, ethyl ester,3-oxopentanoic acid ethyl ester,3-oxo-pentanoic acid ethyl ester,ethyl 3-ketopentanoate,3-oxovaleric acid ethyl ester,propionylacetic acid ethyl ester,ethylpropanylacetate PubChem CID: 78656 IUPAC Name: ethyl 3-oxopentanoate SMILES: CCC(=O)CC(=O)OCC
PubChem CID | 78656 |
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CAS | 4949-44-4 |
Molecular Weight (g/mol) | 144.17 |
MDL Number | MFCD00009317 |
SMILES | CCC(=O)CC(=O)OCC |
Synonym | ethyl propionylacetate,ethyl 3-oxovalerate,ethyl 3-oxo-n-valerate,pentanoic acid, 3-oxo-, ethyl ester,3-oxopentanoic acid ethyl ester,3-oxo-pentanoic acid ethyl ester,ethyl 3-ketopentanoate,3-oxovaleric acid ethyl ester,propionylacetic acid ethyl ester,ethylpropanylacetate |
IUPAC Name | ethyl 3-oxopentanoate |
InChI Key | UDRCONFHWYGWFI-UHFFFAOYSA-N |
Molecular Formula | C7H12O3 |
Diethyl malonate, 99%
CAS: 105-53-3 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00009195 InChI Key: IYXGSMUGOJNHAZ-UHFFFAOYSA-N Synonym: diethyl malonate,malonic ester,propanedioic acid, diethyl ester,dicarbethoxymethane,malonic acid, diethyl ester,carbethoxyacetic ester,malonic acid diethyl ester,1,3-diethyl propanedioate,ethyl propanedioate,ethyl malonate van PubChem CID: 7761 IUPAC Name: diethyl propanedioate SMILES: CCOC(=O)CC(=O)OCC
PubChem CID | 7761 |
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CAS | 105-53-3 |
Molecular Weight (g/mol) | 160.169 |
MDL Number | MFCD00009195 |
SMILES | CCOC(=O)CC(=O)OCC |
Synonym | diethyl malonate,malonic ester,propanedioic acid, diethyl ester,dicarbethoxymethane,malonic acid, diethyl ester,carbethoxyacetic ester,malonic acid diethyl ester,1,3-diethyl propanedioate,ethyl propanedioate,ethyl malonate van |
IUPAC Name | diethyl propanedioate |
InChI Key | IYXGSMUGOJNHAZ-UHFFFAOYSA-N |
Molecular Formula | C7H12O4 |
2-Bromoacetophenone, 98%
CAS: 70-11-1 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.047 MDL Number: MFCD00000195 InChI Key: LIGACIXOYTUXAW-UHFFFAOYSA-N Synonym: 2-bromoacetophenone,phenacyl bromide,2-bromo-1-phenylethan-1-one,bromoacetophenone,ethanone, 2-bromo-1-phenyl,bromomethyl phenyl ketone,alpha-bromoacetophenone,stauffer 4644,omega-bromoacetophenone,acetophenone, 2-bromo PubChem CID: 6259 ChEBI: CHEBI:51846 IUPAC Name: 2-bromo-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)CBr
PubChem CID | 6259 |
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CAS | 70-11-1 |
Molecular Weight (g/mol) | 199.047 |
ChEBI | CHEBI:51846 |
MDL Number | MFCD00000195 |
SMILES | C1=CC=C(C=C1)C(=O)CBr |
Synonym | 2-bromoacetophenone,phenacyl bromide,2-bromo-1-phenylethan-1-one,bromoacetophenone,ethanone, 2-bromo-1-phenyl,bromomethyl phenyl ketone,alpha-bromoacetophenone,stauffer 4644,omega-bromoacetophenone,acetophenone, 2-bromo |
IUPAC Name | 2-bromo-1-phenylethanone |
InChI Key | LIGACIXOYTUXAW-UHFFFAOYSA-N |
Molecular Formula | C8H7BrO |
3'-Chloroacetophenone, 98+%
CAS: 99-02-5 Molecular Formula: C8H7ClO Molecular Weight (g/mol): 154.59 MDL Number: MFCD00000593 InChI Key: UUWJBXKHMMQDED-UHFFFAOYSA-N Synonym: 3'-chloroacetophenone,1-3-chlorophenyl ethanone,m-chloroacetophenone,ethanone, 1-3-chlorophenyl,3-chloroacetophenone,1-3-chlorophenyl ethan-1-one,3-chloro-acetophenone,acetophenone, 3'-chloro,1-3-chloro-phenyl-ethanone,3/'-chloroacetophenone PubChem CID: 14933 IUPAC Name: 1-(3-chlorophenyl)ethanone SMILES: CC(=O)C1=CC=CC(Cl)=C1
PubChem CID | 14933 |
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CAS | 99-02-5 |
Molecular Weight (g/mol) | 154.59 |
MDL Number | MFCD00000593 |
SMILES | CC(=O)C1=CC=CC(Cl)=C1 |
Synonym | 3'-chloroacetophenone,1-3-chlorophenyl ethanone,m-chloroacetophenone,ethanone, 1-3-chlorophenyl,3-chloroacetophenone,1-3-chlorophenyl ethan-1-one,3-chloro-acetophenone,acetophenone, 3'-chloro,1-3-chloro-phenyl-ethanone,3/'-chloroacetophenone |
IUPAC Name | 1-(3-chlorophenyl)ethanone |
InChI Key | UUWJBXKHMMQDED-UHFFFAOYSA-N |
Molecular Formula | C8H7ClO |
Ethyl 4-chloroacetoacetate, 97%
CAS: 638-07-3 Molecular Formula: C6H9ClO3 Molecular Weight (g/mol): 164.585 MDL Number: MFCD00000939 InChI Key: OHLRLMWUFVDREV-UHFFFAOYSA-N Synonym: ethyl 4-chloroacetoacetate,4-chloroacetoacetic acid ethyl ester,butanoic acid, 4-chloro-3-oxo-, ethyl ester,ethyl gamma-chloroacetoacetate,unii-5ae82250cm,ccris 6791,ethyl chloroacetyl acetate,butanoic acid, 4-chloro-3-oxo-ethylester,ethyl 4-chloro-3-oxobutyrate,ethyl 4-chloro-3-oxo-butanoate PubChem CID: 69484 IUPAC Name: ethyl 4-chloro-3-oxobutanoate SMILES: CCOC(=O)CC(=O)CCl
PubChem CID | 69484 |
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CAS | 638-07-3 |
Molecular Weight (g/mol) | 164.585 |
MDL Number | MFCD00000939 |
SMILES | CCOC(=O)CC(=O)CCl |
Synonym | ethyl 4-chloroacetoacetate,4-chloroacetoacetic acid ethyl ester,butanoic acid, 4-chloro-3-oxo-, ethyl ester,ethyl gamma-chloroacetoacetate,unii-5ae82250cm,ccris 6791,ethyl chloroacetyl acetate,butanoic acid, 4-chloro-3-oxo-ethylester,ethyl 4-chloro-3-oxobutyrate,ethyl 4-chloro-3-oxo-butanoate |
IUPAC Name | ethyl 4-chloro-3-oxobutanoate |
InChI Key | OHLRLMWUFVDREV-UHFFFAOYSA-N |
Molecular Formula | C6H9ClO3 |
2-Acetylpyrazine, 99%
CAS: 22047-25-2 Molecular Formula: C6H6N2O Molecular Weight (g/mol): 122.127 MDL Number: MFCD00006134 InChI Key: DBZAKQWXICEWNW-UHFFFAOYSA-N Synonym: acetylpyrazine,2-acetylpyrazine,ethanone, 1-pyrazinyl,1-pyrazin-2-yl ethan-1-one,methyl pyrazinyl ketone,2-acetyl pyrazine,ketone, methyl pyrazinyl,1-pyrazinylethanone,1-pyrazin-2-yl-ethanone,1-pyrazin-2-yl ethanone PubChem CID: 30914 IUPAC Name: 1-pyrazin-2-ylethanone SMILES: CC(=O)C1=NC=CN=C1
PubChem CID | 30914 |
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CAS | 22047-25-2 |
Molecular Weight (g/mol) | 122.127 |
MDL Number | MFCD00006134 |
SMILES | CC(=O)C1=NC=CN=C1 |
Synonym | acetylpyrazine,2-acetylpyrazine,ethanone, 1-pyrazinyl,1-pyrazin-2-yl ethan-1-one,methyl pyrazinyl ketone,2-acetyl pyrazine,ketone, methyl pyrazinyl,1-pyrazinylethanone,1-pyrazin-2-yl-ethanone,1-pyrazin-2-yl ethanone |
IUPAC Name | 1-pyrazin-2-ylethanone |
InChI Key | DBZAKQWXICEWNW-UHFFFAOYSA-N |
Molecular Formula | C6H6N2O |
Isovaleraldehyde, 98%
CAS: 590-86-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00007014 InChI Key: YGHRJJRRZDOVPD-UHFFFAOYSA-N Synonym: isovaleraldehyde,3-methylbutyraldehyde,isopentaldehyde,isovaleral,isovalerylaldehyde,isoamylaldehyde,butanal, 3-methyl,isopentanal,beta-methylbutanal,isovaleric aldehyde PubChem CID: 11552 ChEBI: CHEBI:16638 IUPAC Name: 3-methylbutanal SMILES: CC(C)CC=O
PubChem CID | 11552 |
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CAS | 590-86-3 |
Molecular Weight (g/mol) | 86.13 |
ChEBI | CHEBI:16638 |
MDL Number | MFCD00007014 |
SMILES | CC(C)CC=O |
Synonym | isovaleraldehyde,3-methylbutyraldehyde,isopentaldehyde,isovaleral,isovalerylaldehyde,isoamylaldehyde,butanal, 3-methyl,isopentanal,beta-methylbutanal,isovaleric aldehyde |
IUPAC Name | 3-methylbutanal |
InChI Key | YGHRJJRRZDOVPD-UHFFFAOYSA-N |
Molecular Formula | C5H10O |
2,5-Dimethoxybenzaldehyde, 98+%
CAS: 93-02-7 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00003314 InChI Key: AFUKNJHPZAVHGQ-UHFFFAOYSA-N Synonym: benzaldehyde, 2,5-dimethoxy,2,5-dimethoxy benzaldehyde,unii-w49s1ppl78,2,5-dimethoxybenzald,pubchem2176,gentisic aldehyde,5-dimethoxy benzaldehyde,2,5-dimethoxybenzaldehyd,2,5-dimethoxybenzaldehye,2.5-dimethoxybenzaldehyde PubChem CID: 66726 IUPAC Name: 2,5-dimethoxybenzaldehyde SMILES: COC1=CC(=C(C=C1)OC)C=O
PubChem CID | 66726 |
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CAS | 93-02-7 |
Molecular Weight (g/mol) | 166.176 |
MDL Number | MFCD00003314 |
SMILES | COC1=CC(=C(C=C1)OC)C=O |
Synonym | benzaldehyde, 2,5-dimethoxy,2,5-dimethoxy benzaldehyde,unii-w49s1ppl78,2,5-dimethoxybenzald,pubchem2176,gentisic aldehyde,5-dimethoxy benzaldehyde,2,5-dimethoxybenzaldehyd,2,5-dimethoxybenzaldehye,2.5-dimethoxybenzaldehyde |
IUPAC Name | 2,5-dimethoxybenzaldehyde |
InChI Key | AFUKNJHPZAVHGQ-UHFFFAOYSA-N |
Molecular Formula | C9H10O3 |