
Organooxygen compounds
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3-Hydroxyadamantane-1-carboxylic acid, 97%
CAS: 42711-75-1 Molecular Formula: C11H15O3 Molecular Weight (g/mol): 195.24 MDL Number: MFCD00193929 InChI Key: CJJMAWPEZKYJAP-JZVMUCMXSA-M Synonym: 3-hydroxy-1-adamantanecarboxylic acid,3-hydroxy-adamantane-1-carboxylic acid,3-hydroxyadamantanecarboxylic acid,1-carboxy-3-adamantanol,3-hydroxy-1-adamantane carboxylic acid,3-hydroxytricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3-carboxy-1-hydroxyadamantane,3-hydroxy-tricyclo,acmc-1aqmu,3-carboxy-1-adamantanol PubChem CID: 2736518 IUPAC Name: 3-hydroxyadamantane-1-carboxylic acid SMILES: OC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C([O-])=O
PubChem CID | 2736518 |
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CAS | 42711-75-1 |
Molecular Weight (g/mol) | 195.24 |
MDL Number | MFCD00193929 |
SMILES | OC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C([O-])=O |
Synonym | 3-hydroxy-1-adamantanecarboxylic acid,3-hydroxy-adamantane-1-carboxylic acid,3-hydroxyadamantanecarboxylic acid,1-carboxy-3-adamantanol,3-hydroxy-1-adamantane carboxylic acid,3-hydroxytricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3-carboxy-1-hydroxyadamantane,3-hydroxy-tricyclo,acmc-1aqmu,3-carboxy-1-adamantanol |
IUPAC Name | 3-hydroxyadamantane-1-carboxylic acid |
InChI Key | CJJMAWPEZKYJAP-JZVMUCMXSA-M |
Molecular Formula | C11H15O3 |
CAS | 5392-12-1 |
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MDL Number | MFCD00004004 |
Ethyl trifluoropyruvate, 97%
CAS: 13081-18-0 Molecular Formula: C5H5F3O3 Molecular Weight (g/mol): 170.09 MDL Number: MFCD00114935 InChI Key: KJHQVUNUOIEYSV-UHFFFAOYSA-N Synonym: ethyl trifluoropyruvate,ethyltrifluoropyruvate,ethyl 3,3,3-trifluoropyruvate,trifluoropyruvic acid ethyl ester,propanoic acid, 3,3,3-trifluoro-2-oxo-, ethyl ester,ethyl 2-oxo-3,3,3-trifluoropropanoate,3,3,3-trifluoro-2-oxopropanoic acid ethyl ester,ethyl trifluorpyruvate,ethyl-trifluoropyruvate,pubchem2013 PubChem CID: 2737239 IUPAC Name: ethyl 3,3,3-trifluoro-2-oxopropanoate SMILES: CCOC(=O)C(=O)C(F)(F)F
PubChem CID | 2737239 |
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CAS | 13081-18-0 |
Molecular Weight (g/mol) | 170.09 |
MDL Number | MFCD00114935 |
SMILES | CCOC(=O)C(=O)C(F)(F)F |
Synonym | ethyl trifluoropyruvate,ethyltrifluoropyruvate,ethyl 3,3,3-trifluoropyruvate,trifluoropyruvic acid ethyl ester,propanoic acid, 3,3,3-trifluoro-2-oxo-, ethyl ester,ethyl 2-oxo-3,3,3-trifluoropropanoate,3,3,3-trifluoro-2-oxopropanoic acid ethyl ester,ethyl trifluorpyruvate,ethyl-trifluoropyruvate,pubchem2013 |
IUPAC Name | ethyl 3,3,3-trifluoro-2-oxopropanoate |
InChI Key | KJHQVUNUOIEYSV-UHFFFAOYSA-N |
Molecular Formula | C5H5F3O3 |
2-(Trifluoromethoxy)benzaldehyde, 96%
CAS: 94651-33-9 Molecular Formula: C8H5F3O2 Molecular Weight (g/mol): 190.12 MDL Number: MFCD00042405 InChI Key: CPHXLFKIUVVIOQ-UHFFFAOYSA-N Synonym: 2-trifluoromethoxy benzaldehyde,4-trifluoromethoxy,o-trifluoromethoxy benzaldehyde,2-trifluoromethoxy-benzaldehyde,pubchem1469,trifluoromethoxybenzaldehyde,acmc-209rt0,o-trifluoromethoxybenzaldehyde,trifluoromethoxy benzaldehyde PubChem CID: 2777192 IUPAC Name: 2-(trifluoromethoxy)benzaldehyde SMILES: FC(F)(F)OC1=CC=CC=C1C=O
PubChem CID | 2777192 |
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CAS | 94651-33-9 |
Molecular Weight (g/mol) | 190.12 |
MDL Number | MFCD00042405 |
SMILES | FC(F)(F)OC1=CC=CC=C1C=O |
Synonym | 2-trifluoromethoxy benzaldehyde,4-trifluoromethoxy,o-trifluoromethoxy benzaldehyde,2-trifluoromethoxy-benzaldehyde,pubchem1469,trifluoromethoxybenzaldehyde,acmc-209rt0,o-trifluoromethoxybenzaldehyde,trifluoromethoxy benzaldehyde |
IUPAC Name | 2-(trifluoromethoxy)benzaldehyde |
InChI Key | CPHXLFKIUVVIOQ-UHFFFAOYSA-N |
Molecular Formula | C8H5F3O2 |
3-Ethyl-3-hexanol, 98%, Thermo Scientific Chemicals
CAS: 597-76-2 Molecular Formula: C8H18O Molecular Weight (g/mol): 130.23 MDL Number: MFCD00039616 InChI Key: WNDLTOTUHMHNOC-UHFFFAOYSA-N Synonym: 3-ethyl-3-hexanol,3-hexanol, 3-ethyl,1,1-diethyl-1-butanol,diethyl n-propyl carbinol,acmc-1ak6h PubChem CID: 69008 IUPAC Name: 3-ethylhexan-3-ol SMILES: CCCC(O)(CC)CC
PubChem CID | 69008 |
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CAS | 597-76-2 |
Molecular Weight (g/mol) | 130.23 |
MDL Number | MFCD00039616 |
SMILES | CCCC(O)(CC)CC |
Synonym | 3-ethyl-3-hexanol,3-hexanol, 3-ethyl,1,1-diethyl-1-butanol,diethyl n-propyl carbinol,acmc-1ak6h |
IUPAC Name | 3-ethylhexan-3-ol |
InChI Key | WNDLTOTUHMHNOC-UHFFFAOYSA-N |
Molecular Formula | C8H18O |
Ethylene glycol ethyl methyl ether, 97%, stab. with 0.01% BHT, Thermo Scientific Chemicals
CAS: 5137-45-1 Molecular Formula: C5H12O2 MDL Number: MFCD00048580 Synonym: 2,5-dioxaheptane,ethane, 1-ethoxy-2-methoxy,ethyl 2-methoxyethyl ether
CAS | 5137-45-1 |
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MDL Number | MFCD00048580 |
Synonym | 2,5-dioxaheptane,ethane, 1-ethoxy-2-methoxy,ethyl 2-methoxyethyl ether |
Molecular Formula | C5H12O2 |
(S)-(-)-1-Phenylethanol, 97+%
CAS: 1445-91-6 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00064264 InChI Key: WAPNOHKVXSQRPX-ZETCQYMHSA-N PubChem CID: 443135 ChEBI: CHEBI:16346 SMILES: C[C@H](O)C1=CC=CC=C1
PubChem CID | 443135 |
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CAS | 1445-91-6 |
Molecular Weight (g/mol) | 122.17 |
ChEBI | CHEBI:16346 |
MDL Number | MFCD00064264 |
SMILES | C[C@H](O)C1=CC=CC=C1 |
InChI Key | WAPNOHKVXSQRPX-ZETCQYMHSA-N |
Molecular Formula | C8H10O |
6-Fluoroveratraldehyde, 97+%
CAS: 71924-62-4 Molecular Formula: C9H9FO3 Molecular Weight (g/mol): 184.17 MDL Number: MFCD00061108 InChI Key: IBBYQNVXKFMSSI-UHFFFAOYSA-N Synonym: 6-fluoroveratraldehyde,4,5-dimethoxy-2-fluorobenzaldehyde,benzaldehyde,2-fluoro-4,5-dimethoxy,benzaldehyde, 2-fluoro-4,5-dimethoxy,pubchem2651,acmc-1bkgo,4.5-dimethoxy-2-fluorobenzaldehyde,2-fluoro-4,5-dimethoxy-benzaldehyde,4,5-dimethoxy-2-fluoro benzaldehyde PubChem CID: 603595 IUPAC Name: 2-fluoro-4,5-dimethoxybenzaldehyde SMILES: COC1=CC(F)=C(C=O)C=C1OC
PubChem CID | 603595 |
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CAS | 71924-62-4 |
Molecular Weight (g/mol) | 184.17 |
MDL Number | MFCD00061108 |
SMILES | COC1=CC(F)=C(C=O)C=C1OC |
Synonym | 6-fluoroveratraldehyde,4,5-dimethoxy-2-fluorobenzaldehyde,benzaldehyde,2-fluoro-4,5-dimethoxy,benzaldehyde, 2-fluoro-4,5-dimethoxy,pubchem2651,acmc-1bkgo,4.5-dimethoxy-2-fluorobenzaldehyde,2-fluoro-4,5-dimethoxy-benzaldehyde,4,5-dimethoxy-2-fluoro benzaldehyde |
IUPAC Name | 2-fluoro-4,5-dimethoxybenzaldehyde |
InChI Key | IBBYQNVXKFMSSI-UHFFFAOYSA-N |
Molecular Formula | C9H9FO3 |
Thermo Scientific Chemicals D-Tagatose, 99%
CAS: 87-81-0 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD00134449 InChI Key: BJHIKXHVCXFQLS-PQLUHFTBSA-N Synonym: 3s,4s,5r-1,3,4,5,6-pentahydroxyhexan-2-one,lyxo-2-hexulose,tagatose, d,d--tagatose,keto-d-tagatose,tagatose nf,unii-t7a20y888y,d-lyxo-hex-2-ulose,naturlose PubChem CID: 92092 ChEBI: CHEBI:47693 IUPAC Name: (3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O
PubChem CID | 92092 |
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CAS | 87-81-0 |
Molecular Weight (g/mol) | 180.156 |
ChEBI | CHEBI:47693 |
MDL Number | MFCD00134449 |
SMILES | C(C(C(C(C(=O)CO)O)O)O)O |
Synonym | 3s,4s,5r-1,3,4,5,6-pentahydroxyhexan-2-one,lyxo-2-hexulose,tagatose, d,d--tagatose,keto-d-tagatose,tagatose nf,unii-t7a20y888y,d-lyxo-hex-2-ulose,naturlose |
IUPAC Name | (3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one |
InChI Key | BJHIKXHVCXFQLS-PQLUHFTBSA-N |
Molecular Formula | C6H12O6 |
alpha-Bisabolol, 96%
CAS: 515-69-5 Molecular Formula: C15H26O Molecular Weight (g/mol): 222.372 MDL Number: MFCD03846910 InChI Key: RGZSQWQPBWRIAQ-LSDHHAIUSA-N Synonym: bisabolol,alpha-bisabolol,+-alpha-bisabolol,d-alpha-bisabolol,.alpha.-bisabolol,+-1'r,2r-alpha-bisabolol,2r-6-methyl-2-1r-4-methylcyclohex-3-en-1-yl hept-5-en-2-ol,3-cyclohexene-1-methanol, .alpha.,4-dimethyl-.alpha.-4-methyl-3-pentenyl-, r*,r*,dsstox_cid_25964,dsstox_rid_81260 PubChem CID: 1549992 IUPAC Name: (2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol SMILES: CC1=CCC(CC1)C(C)(CCC=C(C)C)O
PubChem CID | 1549992 |
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CAS | 515-69-5 |
Molecular Weight (g/mol) | 222.372 |
MDL Number | MFCD03846910 |
SMILES | CC1=CCC(CC1)C(C)(CCC=C(C)C)O |
Synonym | bisabolol,alpha-bisabolol,+-alpha-bisabolol,d-alpha-bisabolol,.alpha.-bisabolol,+-1'r,2r-alpha-bisabolol,2r-6-methyl-2-1r-4-methylcyclohex-3-en-1-yl hept-5-en-2-ol,3-cyclohexene-1-methanol, .alpha.,4-dimethyl-.alpha.-4-methyl-3-pentenyl-, r*,r*,dsstox_cid_25964,dsstox_rid_81260 |
IUPAC Name | (2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol |
InChI Key | RGZSQWQPBWRIAQ-LSDHHAIUSA-N |
Molecular Formula | C15H26O |
4-tert-Butylcalix[4]arene, 99%
CAS: 60705-62-6 Molecular Formula: C44H56O4 Molecular Weight (g/mol): 648.93 MDL Number: MFCD00066280 InChI Key: NVKLTRSBZLYZHK-UHFFFAOYSA-N Synonym: 4-tert-butylcalix 4 arene,tetra-tert-butyl tetrahydroxy calix 4 arene,5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene,4-t-butylcalix 4 arene,tetratert-butyl ? tetrol,p-tert-butylcalix 4 arene,4-tert-butylcalix 4 arene 5g,ethyl 2-5,11,17,23-tetra tert-butyl-26,27,28-tris 2-ethoxy-2-oxyethoxy pentacyclo 19.3.1.1∼3,7∼.1∼9,13∼.1∼15,19∼ octacosa-1 25 ,3 28 ,4,6,9 27 ,10,12,15,17, PubChem CID: 335377 IUPAC Name: 5,11,17,23-tetra-tert-butylpentacyclo[19.3.1.1³,⁷.1⁹,¹³.1¹⁵,¹⁹]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol SMILES: CC(C)(C)C1=CC2=C(O)C(CC3=C(O)C(CC4=C(O)C(CC5=C(O)C(C2)=CC(=C5)C(C)(C)C)=CC(=C4)C(C)(C)C)=CC(=C3)C(C)(C)C)=C1
PubChem CID | 335377 |
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CAS | 60705-62-6 |
Molecular Weight (g/mol) | 648.93 |
MDL Number | MFCD00066280 |
SMILES | CC(C)(C)C1=CC2=C(O)C(CC3=C(O)C(CC4=C(O)C(CC5=C(O)C(C2)=CC(=C5)C(C)(C)C)=CC(=C4)C(C)(C)C)=CC(=C3)C(C)(C)C)=C1 |
Synonym | 4-tert-butylcalix 4 arene,tetra-tert-butyl tetrahydroxy calix 4 arene,5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene,4-t-butylcalix 4 arene,tetratert-butyl ? tetrol,p-tert-butylcalix 4 arene,4-tert-butylcalix 4 arene 5g,ethyl 2-5,11,17,23-tetra tert-butyl-26,27,28-tris 2-ethoxy-2-oxyethoxy pentacyclo 19.3.1.1∼3,7∼.1∼9,13∼.1∼15,19∼ octacosa-1 25 ,3 28 ,4,6,9 27 ,10,12,15,17, |
IUPAC Name | 5,11,17,23-tetra-tert-butylpentacyclo[19.3.1.1³,⁷.1⁹,¹³.1¹⁵,¹⁹]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol |
InChI Key | NVKLTRSBZLYZHK-UHFFFAOYSA-N |
Molecular Formula | C44H56O4 |
2'-Acetoxyacetophenone, 98%
CAS: 7250-94-4 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00017223 InChI Key: WWEDAIJJBDFOOK-UHFFFAOYSA-N Synonym: 2'-acetoxyacetophenone,2-acetylphenyl acetate,ethanone, 1-2-acetyloxy phenyl,o-acetoxyacetophenone,2'-acetoxy acetophenone,maybridge1_002653,acmc-209on8,acetic acid 2-acetyl-phenyl ester,acetophenone, 2-hydroxy-, acetate 8ci PubChem CID: 16716 IUPAC Name: (2-acetylphenyl) acetate SMILES: CC(=O)OC1=CC=CC=C1C(C)=O
PubChem CID | 16716 |
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CAS | 7250-94-4 |
Molecular Weight (g/mol) | 178.19 |
MDL Number | MFCD00017223 |
SMILES | CC(=O)OC1=CC=CC=C1C(C)=O |
Synonym | 2'-acetoxyacetophenone,2-acetylphenyl acetate,ethanone, 1-2-acetyloxy phenyl,o-acetoxyacetophenone,2'-acetoxy acetophenone,maybridge1_002653,acmc-209on8,acetic acid 2-acetyl-phenyl ester,acetophenone, 2-hydroxy-, acetate 8ci |
IUPAC Name | (2-acetylphenyl) acetate |
InChI Key | WWEDAIJJBDFOOK-UHFFFAOYSA-N |
Molecular Formula | C10H10O3 |
Desyl chloride, 98%
CAS: 447-31-4 Molecular Formula: C14H11ClO Molecular Weight (g/mol): 230.69 MDL Number: MFCD00000858 InChI Key: RXDYOLRABMJTEF-UHFFFAOYNA-N Synonym: desyl chloride,2-chloro-2-phenylacetophenone,alpha-chlorodeoxybenzoin,1,2-diphenyl-2-chloroethanone,ethanone, 2-chloro-1,2-diphenyl,alpha-chlorobenzyl phenyl ketone,2-chloro-1,2-diphenylethone,acetophenone, alpha-chloro-alpha-phenyl,2-chloro-1,2-diphenyl-ethanone,acetophenone, 2-chloro-2-phenyl PubChem CID: 95343 IUPAC Name: 2-chloro-1,2-diphenylethanone SMILES: ClC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
PubChem CID | 95343 |
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CAS | 447-31-4 |
Molecular Weight (g/mol) | 230.69 |
MDL Number | MFCD00000858 |
SMILES | ClC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
Synonym | desyl chloride,2-chloro-2-phenylacetophenone,alpha-chlorodeoxybenzoin,1,2-diphenyl-2-chloroethanone,ethanone, 2-chloro-1,2-diphenyl,alpha-chlorobenzyl phenyl ketone,2-chloro-1,2-diphenylethone,acetophenone, alpha-chloro-alpha-phenyl,2-chloro-1,2-diphenyl-ethanone,acetophenone, 2-chloro-2-phenyl |
IUPAC Name | 2-chloro-1,2-diphenylethanone |
InChI Key | RXDYOLRABMJTEF-UHFFFAOYNA-N |
Molecular Formula | C14H11ClO |
3',5'-Dimethoxyacetophenone, 97%
CAS: 39151-19-4 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00008739 InChI Key: YJKHOUIVWKQRSL-UHFFFAOYSA-N Synonym: 3',5'-dimethoxyacetophenone,1-3,5-dimethoxyphenyl ethanone,3,5-dimethoxyacetophenone,1-3,5-dimethoxyphenyl ethan-1-one,ethanone, 1-3,5-dimethoxyphenyl,1-acetyl-3,5-dimethoxybenzene,acetophenone, 3',5'-dimethoxy-6ci,7ci,acmc-20anci,pubchem3391,opera_id_1889 PubChem CID: 95997 IUPAC Name: 1-(3,5-dimethoxyphenyl)ethanone SMILES: COC1=CC(=CC(OC)=C1)C(C)=O
PubChem CID | 95997 |
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CAS | 39151-19-4 |
Molecular Weight (g/mol) | 180.20 |
MDL Number | MFCD00008739 |
SMILES | COC1=CC(=CC(OC)=C1)C(C)=O |
Synonym | 3',5'-dimethoxyacetophenone,1-3,5-dimethoxyphenyl ethanone,3,5-dimethoxyacetophenone,1-3,5-dimethoxyphenyl ethan-1-one,ethanone, 1-3,5-dimethoxyphenyl,1-acetyl-3,5-dimethoxybenzene,acetophenone, 3',5'-dimethoxy-6ci,7ci,acmc-20anci,pubchem3391,opera_id_1889 |
IUPAC Name | 1-(3,5-dimethoxyphenyl)ethanone |
InChI Key | YJKHOUIVWKQRSL-UHFFFAOYSA-N |
Molecular Formula | C10H12O3 |
Methyl malonamate, 98%
CAS: 51513-29-2 Molecular Formula: C4H7NO3 Molecular Weight (g/mol): 117.10 MDL Number: MFCD00674533 InChI Key: LSNSJCKGQREPDW-UHFFFAOYSA-N Synonym: methyl malonamate,methyl malonate monoamide,methyl 2-carbamoylacetate,propanoic acid, 3-amino-3-oxo-, methyl ester,acmc-20akfl,methyl carbamoylacetate,methyl-malonate monoamide,malonamic acid methyl ester,malonamidic acid methyl ester,methyl 3-amino-3-oxo-propanoate PubChem CID: 3595299 IUPAC Name: methyl 3-amino-3-oxopropanoate SMILES: COC(=O)CC(N)=O
PubChem CID | 3595299 |
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CAS | 51513-29-2 |
Molecular Weight (g/mol) | 117.10 |
MDL Number | MFCD00674533 |
SMILES | COC(=O)CC(N)=O |
Synonym | methyl malonamate,methyl malonate monoamide,methyl 2-carbamoylacetate,propanoic acid, 3-amino-3-oxo-, methyl ester,acmc-20akfl,methyl carbamoylacetate,methyl-malonate monoamide,malonamic acid methyl ester,malonamidic acid methyl ester,methyl 3-amino-3-oxo-propanoate |
IUPAC Name | methyl 3-amino-3-oxopropanoate |
InChI Key | LSNSJCKGQREPDW-UHFFFAOYSA-N |
Molecular Formula | C4H7NO3 |