Organooxygen compounds
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1,1-Bis(hydroxymethyl)cyclopropane 96.0+%, TCI America™
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CAS: 39590-81-3 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00464207 InChI Key: YAINYZJQSQEGND-UHFFFAOYSA-N Synonym: 1,1-bis hydroxymethyl cyclopropane,1-hydroxymethyl cyclopropyl methanol,1-hydroxymethylcyclopropyl methanol,1,1-cyclopropanedimethanol,cyclopropane-1,1-diyldimethanol,1,1-dimetholcyclopropane,1,1-cyclopropyldimethanol,cyclopropanedimethanol,pubchem15258,acmc-209j6f PubChem CID: 4101437 IUPAC Name: [1-(hydroxymethyl)cyclopropyl]methanol SMILES: C1CC1(CO)CO
| PubChem CID | 4101437 |
|---|---|
| CAS | 39590-81-3 |
| Molecular Weight (g/mol) | 102.133 |
| MDL Number | MFCD00464207 |
| SMILES | C1CC1(CO)CO |
| Synonym | 1,1-bis hydroxymethyl cyclopropane,1-hydroxymethyl cyclopropyl methanol,1-hydroxymethylcyclopropyl methanol,1,1-cyclopropanedimethanol,cyclopropane-1,1-diyldimethanol,1,1-dimetholcyclopropane,1,1-cyclopropyldimethanol,cyclopropanedimethanol,pubchem15258,acmc-209j6f |
| IUPAC Name | [1-(hydroxymethyl)cyclopropyl]methanol |
| InChI Key | YAINYZJQSQEGND-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
4-Butoxybenzaldehyde 98.0+%, TCI America™
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CAS: 5736-88-9 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00003389 InChI Key: XHWMNHADTZZHGI-UHFFFAOYSA-N Synonym: p-butoxybenzaldehyde,benzaldehyde, 4-butoxy,4-n-butoxybenzaldehyde,benzaldehyde, p-butoxy,4-butoxy-benzaldehyde,p-n-butoxybenzaldehyde,4-n-butyloxybenzaldehyde,acmc-209lxn,p-n-butoxy benzaldehyde,4-butoxybenzaldehyde PubChem CID: 79813 IUPAC Name: 4-butoxybenzaldehyde SMILES: CCCCOC1=CC=C(C=C1)C=O
| PubChem CID | 79813 |
|---|---|
| CAS | 5736-88-9 |
| Molecular Weight (g/mol) | 178.231 |
| MDL Number | MFCD00003389 |
| SMILES | CCCCOC1=CC=C(C=C1)C=O |
| Synonym | p-butoxybenzaldehyde,benzaldehyde, 4-butoxy,4-n-butoxybenzaldehyde,benzaldehyde, p-butoxy,4-butoxy-benzaldehyde,p-n-butoxybenzaldehyde,4-n-butyloxybenzaldehyde,acmc-209lxn,p-n-butoxy benzaldehyde,4-butoxybenzaldehyde |
| IUPAC Name | 4-butoxybenzaldehyde |
| InChI Key | XHWMNHADTZZHGI-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
3'-Bromo-4'-methylacetophenone 98.0+%, TCI America™
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CAS: 40180-80-1 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.074 MDL Number: MFCD02683854 InChI Key: PDJLFESXPVLVMR-UHFFFAOYSA-N PubChem CID: 3309401 IUPAC Name: 1-(3-bromo-4-methylphenyl)ethanone SMILES: CC1=C(C=C(C=C1)C(=O)C)Br
| PubChem CID | 3309401 |
|---|---|
| CAS | 40180-80-1 |
| Molecular Weight (g/mol) | 213.074 |
| MDL Number | MFCD02683854 |
| SMILES | CC1=C(C=C(C=C1)C(=O)C)Br |
| IUPAC Name | 1-(3-bromo-4-methylphenyl)ethanone |
| InChI Key | PDJLFESXPVLVMR-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO |
2-Methoxythiophene 98.0+%, TCI America™
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CAS: 16839-97-7 Molecular Formula: C5H6OS Molecular Weight (g/mol): 114.16 MDL Number: MFCD00014526 InChI Key: OKEHURCMYKPVFW-UHFFFAOYSA-N Synonym: thiophene, 2-methoxy,2-methoxy thiophene,2-methoxy-thiophene,2-methyloxy thiophene,pubchem12545,acmc-1bwzz,2-methoxythiophene,ksc183i2f PubChem CID: 85610 IUPAC Name: 2-methoxythiophene SMILES: COC1=CC=CS1
| PubChem CID | 85610 |
|---|---|
| CAS | 16839-97-7 |
| Molecular Weight (g/mol) | 114.16 |
| MDL Number | MFCD00014526 |
| SMILES | COC1=CC=CS1 |
| Synonym | thiophene, 2-methoxy,2-methoxy thiophene,2-methoxy-thiophene,2-methyloxy thiophene,pubchem12545,acmc-1bwzz,2-methoxythiophene,ksc183i2f |
| IUPAC Name | 2-methoxythiophene |
| InChI Key | OKEHURCMYKPVFW-UHFFFAOYSA-N |
| Molecular Formula | C5H6OS |
2'-Chloro-4'-nitroacetophenone 98.0+%, TCI America™
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CAS: 67818-41-1 Molecular Formula: C8H6ClNO3 Molecular Weight (g/mol): 199.59 MDL Number: MFCD00017340 InChI Key: BRFBJVQQCATLSZ-UHFFFAOYSA-N PubChem CID: 314302 IUPAC Name: 1-(2-chloro-4-nitrophenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O
| PubChem CID | 314302 |
|---|---|
| CAS | 67818-41-1 |
| Molecular Weight (g/mol) | 199.59 |
| MDL Number | MFCD00017340 |
| SMILES | CC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O |
| IUPAC Name | 1-(2-chloro-4-nitrophenyl)ethan-1-one |
| InChI Key | BRFBJVQQCATLSZ-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNO3 |
2,12-Dichlorocyclododecanone 98.0+%, TCI America™
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CAS: 858830-26-9 Molecular Formula: C12H20Cl2O Molecular Weight (g/mol): 251.19 MDL Number: MFCD04117917 InChI Key: MEHFXKFLCAZPSE-UHFFFAOYNA-N PubChem CID: 44630272 IUPAC Name: 2,12-dichlorocyclododecan-1-one SMILES: ClC1CCCCCCCCCC(Cl)C1=O
| PubChem CID | 44630272 |
|---|---|
| CAS | 858830-26-9 |
| Molecular Weight (g/mol) | 251.19 |
| MDL Number | MFCD04117917 |
| SMILES | ClC1CCCCCCCCCC(Cl)C1=O |
| IUPAC Name | 2,12-dichlorocyclododecan-1-one |
| InChI Key | MEHFXKFLCAZPSE-UHFFFAOYNA-N |
| Molecular Formula | C12H20Cl2O |
3'-Bromo-5'-chloro-2'-hydroxyacetophenone 97.0+%, TCI America™
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CAS: 59443-15-1 Molecular Formula: C8H6BrClO2 Molecular Weight (g/mol): 249.49 MDL Number: MFCD00857068 InChI Key: FFAVKFQPEOGJOA-UHFFFAOYSA-N Synonym: 2-Acetyl-6-bromo-4-chlorophenol PubChem CID: 2735546 IUPAC Name: 1-(3-bromo-5-chloro-2-hydroxyphenyl)ethan-1-one SMILES: CC(=O)C1=CC(Cl)=CC(Br)=C1O
| PubChem CID | 2735546 |
|---|---|
| CAS | 59443-15-1 |
| Molecular Weight (g/mol) | 249.49 |
| MDL Number | MFCD00857068 |
| SMILES | CC(=O)C1=CC(Cl)=CC(Br)=C1O |
| Synonym | 2-Acetyl-6-bromo-4-chlorophenol |
| IUPAC Name | 1-(3-bromo-5-chloro-2-hydroxyphenyl)ethan-1-one |
| InChI Key | FFAVKFQPEOGJOA-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrClO2 |
Jervine 97.0+%, TCI America™
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CAS: 469-59-0 Molecular Formula: C27H39NO3 Molecular Weight (g/mol): 425.61 MDL Number: MFCD01684066 InChI Key: CLEXYFLHGFJONT-UHFFFAOYNA-N Synonym: jervine,iervin,jerwiny polish,11-ketocyclopamine,unii-19v3ecx465,veratraman-11-one, 17,23-epoxy-3-hydroxy-, 3beta,23beta,17,23beta-epoxy-3beta-hydroxyveratraman-11-one,spiro 9h-benzo a fluorene-9,2' 3'h-furo 3,2-b-pyridin-11 1h-one, 2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11a,11b-hexadecahydro-3-hydroxy-3',6',10, 11b-tetramethyl,jerwiny,veratraman-11-one, 17,23-epoxy-3-hydroxy-, 3-beta,23-beta PubChem CID: 10098 ChEBI: CHEBI:6088 IUPAC Name: 3-hydroxy-3',6',10,11b-tetramethyl-1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3'H-spiro[cyclohexa[a]fluorene-9,2'-furo[3,2-b]pyridin]-11-one SMILES: CC1C2NCC(C)CC2OC11CCC2C3CC=C4CC(O)CCC4(C)C3C(=O)C2=C1C
| PubChem CID | 10098 |
|---|---|
| CAS | 469-59-0 |
| Molecular Weight (g/mol) | 425.61 |
| ChEBI | CHEBI:6088 |
| MDL Number | MFCD01684066 |
| SMILES | CC1C2NCC(C)CC2OC11CCC2C3CC=C4CC(O)CCC4(C)C3C(=O)C2=C1C |
| Synonym | jervine,iervin,jerwiny polish,11-ketocyclopamine,unii-19v3ecx465,veratraman-11-one, 17,23-epoxy-3-hydroxy-, 3beta,23beta,17,23beta-epoxy-3beta-hydroxyveratraman-11-one,spiro 9h-benzo a fluorene-9,2' 3'h-furo 3,2-b-pyridin-11 1h-one, 2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11a,11b-hexadecahydro-3-hydroxy-3',6',10, 11b-tetramethyl,jerwiny,veratraman-11-one, 17,23-epoxy-3-hydroxy-, 3-beta,23-beta |
| IUPAC Name | 3-hydroxy-3',6',10,11b-tetramethyl-1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3'H-spiro[cyclohexa[a]fluorene-9,2'-furo[3,2-b]pyridin]-11-one |
| InChI Key | CLEXYFLHGFJONT-UHFFFAOYNA-N |
| Molecular Formula | C27H39NO3 |
2-Methoxy-5-pyrimidylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 2736778 |
|---|---|
| CAS | 628692-15-9 |
| Molecular Weight (g/mol) | 153.932 |
| MDL Number | MFCD03094664 |
| Color | Yellow |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CN=C(N=C1)OC)(O)O |
| TSCA | No |
| IUPAC Name | (2-methoxypyrimidin-5-yl)boronic acid |
| InChI Key | YPWAJLGHACDYQS-UHFFFAOYSA-N |
| Molecular Formula | C5H7BN2O3 |
| Formula Weight | 153.93 |
| Melting Point | 161°C |
Adrenalone Hydrochloride Hydrate 98.0+%, TCI America™
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CAS: 62-13-5 Molecular Formula: C9H12ClNO3 Molecular Weight (g/mol): 217.649 MDL Number: MFCD00035075 InChI Key: CSRRBDMYOUQTCO-UHFFFAOYSA-N Synonym: adrenalone hydrochloride,stryphnonasal,adrenone hydrochloride,adrenalone hcl,kephrine hydrochloride,adrenalonium chloratum,epinephrine ketone hydrochloride,3',4'-dihydroxy-2-methylamino acetophenone hydrochloride,unii-nn82ywe2ic PubChem CID: 66136 IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone;hydrochloride SMILES: CNCC(=O)C1=CC(=C(C=C1)O)O.Cl
| PubChem CID | 66136 |
|---|---|
| CAS | 62-13-5 |
| Molecular Weight (g/mol) | 217.649 |
| MDL Number | MFCD00035075 |
| SMILES | CNCC(=O)C1=CC(=C(C=C1)O)O.Cl |
| Synonym | adrenalone hydrochloride,stryphnonasal,adrenone hydrochloride,adrenalone hcl,kephrine hydrochloride,adrenalonium chloratum,epinephrine ketone hydrochloride,3',4'-dihydroxy-2-methylamino acetophenone hydrochloride,unii-nn82ywe2ic |
| IUPAC Name | 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone;hydrochloride |
| InChI Key | CSRRBDMYOUQTCO-UHFFFAOYSA-N |
| Molecular Formula | C9H12ClNO3 |
Diethyl Acetonylmalonate 95.0+%, TCI America™
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CAS: 23193-18-2 Molecular Formula: C10H16O5 Molecular Weight (g/mol): 216.233 MDL Number: MFCD00177949 InChI Key: KGZCSZOGMMZHKB-UHFFFAOYSA-N Synonym: Acetonylmalonic Acid Diethyl Ester, Diethyl 2-Oxopropylmalonate, 2-Oxopropylmalonic Acid Diethyl Ester PubChem CID: 12000252 IUPAC Name: diethyl 2-(2-oxopropyl)propanedioate SMILES: CCOC(=O)C(CC(=O)C)C(=O)OCC
| PubChem CID | 12000252 |
|---|---|
| CAS | 23193-18-2 |
| Molecular Weight (g/mol) | 216.233 |
| MDL Number | MFCD00177949 |
| SMILES | CCOC(=O)C(CC(=O)C)C(=O)OCC |
| Synonym | Acetonylmalonic Acid Diethyl Ester, Diethyl 2-Oxopropylmalonate, 2-Oxopropylmalonic Acid Diethyl Ester |
| IUPAC Name | diethyl 2-(2-oxopropyl)propanedioate |
| InChI Key | KGZCSZOGMMZHKB-UHFFFAOYSA-N |
| Molecular Formula | C10H16O5 |
1,4-Butanediol Bis(3-aminopropyl) Ether 98.0+%, TCI America™
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CAS: 7300-34-7 Molecular Formula: C10H24N2O2 Molecular Weight (g/mol): 204.31 MDL Number: MFCD00009802 InChI Key: YOOSAIJKYCBPFW-UHFFFAOYSA-N Synonym: 1,4-bis 3-aminopropoxy butane,4,9-dioxa-1,12-dodecanediamine,4,9-dioxadodecane-1,12-diamine,1,12-diamino-4,9-dioxadodecane,1,4-butanediol bis 3-aminopropyl ether,3,3'-tetramethylenedioxy bis propylamine,1,4-bis gamma-aminopropoxy butane,alpha,omega-diamino-4,9-dioxadodecane,3,3'-butane-1,4-diylbis oxy bis propan-1-amine,1,4-butanediol bis gamma-aminopropyl ether PubChem CID: 81729 IUPAC Name: 3-[4-(3-aminopropoxy)butoxy]propan-1-amine SMILES: NCCCOCCCCOCCCN
| PubChem CID | 81729 |
|---|---|
| CAS | 7300-34-7 |
| Molecular Weight (g/mol) | 204.31 |
| MDL Number | MFCD00009802 |
| SMILES | NCCCOCCCCOCCCN |
| Synonym | 1,4-bis 3-aminopropoxy butane,4,9-dioxa-1,12-dodecanediamine,4,9-dioxadodecane-1,12-diamine,1,12-diamino-4,9-dioxadodecane,1,4-butanediol bis 3-aminopropyl ether,3,3'-tetramethylenedioxy bis propylamine,1,4-bis gamma-aminopropoxy butane,alpha,omega-diamino-4,9-dioxadodecane,3,3'-butane-1,4-diylbis oxy bis propan-1-amine,1,4-butanediol bis gamma-aminopropyl ether |
| IUPAC Name | 3-[4-(3-aminopropoxy)butoxy]propan-1-amine |
| InChI Key | YOOSAIJKYCBPFW-UHFFFAOYSA-N |
| Molecular Formula | C10H24N2O2 |
3-Methyl-1-phenyl-3-pentanol 98.0+%, TCI America™
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CAS: 10415-87-9 Molecular Formula: C12H18O Molecular Weight (g/mol): 178.275 MDL Number: MFCD00021825 InChI Key: AEJRTNBCFUOSEM-UHFFFAOYSA-N PubChem CID: 61516 IUPAC Name: 3-methyl-1-phenylpentan-3-ol SMILES: CCC(C)(CCC1=CC=CC=C1)O
| PubChem CID | 61516 |
|---|---|
| CAS | 10415-87-9 |
| Molecular Weight (g/mol) | 178.275 |
| MDL Number | MFCD00021825 |
| SMILES | CCC(C)(CCC1=CC=CC=C1)O |
| IUPAC Name | 3-methyl-1-phenylpentan-3-ol |
| InChI Key | AEJRTNBCFUOSEM-UHFFFAOYSA-N |
| Molecular Formula | C12H18O |
tert-Butyl Acetoacetate 95.0+%, TCI America™
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CAS: 1694-31-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00008811 InChI Key: JKUYRAMKJLMYLO-UHFFFAOYSA-N Synonym: tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate PubChem CID: 15538 IUPAC Name: tert-butyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OC(C)(C)C
| PubChem CID | 15538 |
|---|---|
| CAS | 1694-31-1 |
| Molecular Weight (g/mol) | 158.197 |
| MDL Number | MFCD00008811 |
| SMILES | CC(=O)CC(=O)OC(C)(C)C |
| Synonym | tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate |
| IUPAC Name | tert-butyl 3-oxobutanoate |
| InChI Key | JKUYRAMKJLMYLO-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
Triethyl Orthopropionate 96.0+%, TCI America™
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CAS: 115-80-0 Molecular Formula: C9H20O3 Molecular Weight (g/mol): 176.26 MDL Number: MFCD00009226 InChI Key: FGWYWKIOMUZSQF-UHFFFAOYSA-N Synonym: triethyl orthopropionate,ethyl orthopropionate,propane, 1,1,1-triethoxy,triethylorthopropionate,triethyl o-propionate,orthopropionic acid ethyl ester,orthopropionic acid, triethyl ester,unii-9uvm48bas9,9uvm48bas9,1,1,1-triethoxypropan PubChem CID: 66995 IUPAC Name: 1,1,1-triethoxypropane SMILES: CCOC(CC)(OCC)OCC
| PubChem CID | 66995 |
|---|---|
| CAS | 115-80-0 |
| Molecular Weight (g/mol) | 176.26 |
| MDL Number | MFCD00009226 |
| SMILES | CCOC(CC)(OCC)OCC |
| Synonym | triethyl orthopropionate,ethyl orthopropionate,propane, 1,1,1-triethoxy,triethylorthopropionate,triethyl o-propionate,orthopropionic acid ethyl ester,orthopropionic acid, triethyl ester,unii-9uvm48bas9,9uvm48bas9,1,1,1-triethoxypropan |
| IUPAC Name | 1,1,1-triethoxypropane |
| InChI Key | FGWYWKIOMUZSQF-UHFFFAOYSA-N |
| Molecular Formula | C9H20O3 |