
Organooxygen compounds
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5-Methylfurfural, 98+%
CAS: 620-02-0 Molecular Formula: C6H6O2 Molecular Weight (g/mol): 110.11 MDL Number: MFCD00003232 InChI Key: OUDFNZMQXZILJD-UHFFFAOYSA-N Synonym: 5-methylfurfural,5-methyl-2-furaldehyde,5-methyl furfural,5-methyl-2-furfural,2-furancarboxaldehyde, 5-methyl,5-methylfuran-2-al,5-methyl-2-furancarboxaldehyde,5-methylfurfuraldehyde,2-furaldehyde, 5-methyl,2-formyl-5-methylfuran PubChem CID: 12097 ChEBI: CHEBI:2091 IUPAC Name: 5-methylfuran-2-carbaldehyde SMILES: CC1=CC=C(O1)C=O
PubChem CID | 12097 |
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CAS | 620-02-0 |
Molecular Weight (g/mol) | 110.11 |
ChEBI | CHEBI:2091 |
MDL Number | MFCD00003232 |
SMILES | CC1=CC=C(O1)C=O |
Synonym | 5-methylfurfural,5-methyl-2-furaldehyde,5-methyl furfural,5-methyl-2-furfural,2-furancarboxaldehyde, 5-methyl,5-methylfuran-2-al,5-methyl-2-furancarboxaldehyde,5-methylfurfuraldehyde,2-furaldehyde, 5-methyl,2-formyl-5-methylfuran |
IUPAC Name | 5-methylfuran-2-carbaldehyde |
InChI Key | OUDFNZMQXZILJD-UHFFFAOYSA-N |
Molecular Formula | C6H6O2 |
5-Acetoxymethyl-2-furaldehyde, 97%
CAS: 10551-58-3 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00003233 InChI Key: QAVITTVTXPZTSE-UHFFFAOYSA-N Synonym: 5-acetoxymethyl-2-furaldehyde,5-formylfuran-2-yl methyl acetate,5-acetoxymethylfurfural,5-acetoxymethyl furfural,5-formylfurfuryl acetate,5-formyl-2-furyl methyl acetate,unii-5hh6180xyd,5-acetoxymethyl furfural amf,2-furancarboxaldehyde, 5-acetyloxy methyl PubChem CID: 66349 IUPAC Name: (5-formylfuran-2-yl)methyl acetate SMILES: CC(=O)OCC1=CC=C(O1)C=O
PubChem CID | 66349 |
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CAS | 10551-58-3 |
Molecular Weight (g/mol) | 168.15 |
MDL Number | MFCD00003233 |
SMILES | CC(=O)OCC1=CC=C(O1)C=O |
Synonym | 5-acetoxymethyl-2-furaldehyde,5-formylfuran-2-yl methyl acetate,5-acetoxymethylfurfural,5-acetoxymethyl furfural,5-formylfurfuryl acetate,5-formyl-2-furyl methyl acetate,unii-5hh6180xyd,5-acetoxymethyl furfural amf,2-furancarboxaldehyde, 5-acetyloxy methyl |
IUPAC Name | (5-formylfuran-2-yl)methyl acetate |
InChI Key | QAVITTVTXPZTSE-UHFFFAOYSA-N |
Molecular Formula | C8H8O4 |
1,4-Cyclohexanediol, 99%, mixture of cis and trans
CAS: 556-48-9 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00001448,MFCD00063612,MFCD00075462 InChI Key: VKONPUDBRVKQLM-UHFFFAOYSA-N Synonym: 1,4-cyclohexanediol,cis-1,4-cyclohexanediol,trans-1,4-cyclohexanediol,trans-cyclohexane-1,4-diol,quinitol,1,4-cyclohexanediol, trans,cis-cyclohexane-1,4-diol,1,4-cyclohexanediol, cis,trans-1,4-dihydroxycyclohexane,cis-1,4-dihydroxycyclohexane PubChem CID: 11162 IUPAC Name: cyclohexane-1,4-diol SMILES: OC1CCC(O)CC1
PubChem CID | 11162 |
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CAS | 556-48-9 |
Molecular Weight (g/mol) | 116.16 |
MDL Number | MFCD00001448,MFCD00063612,MFCD00075462 |
SMILES | OC1CCC(O)CC1 |
Synonym | 1,4-cyclohexanediol,cis-1,4-cyclohexanediol,trans-1,4-cyclohexanediol,trans-cyclohexane-1,4-diol,quinitol,1,4-cyclohexanediol, trans,cis-cyclohexane-1,4-diol,1,4-cyclohexanediol, cis,trans-1,4-dihydroxycyclohexane,cis-1,4-dihydroxycyclohexane |
IUPAC Name | cyclohexane-1,4-diol |
InChI Key | VKONPUDBRVKQLM-UHFFFAOYSA-N |
Molecular Formula | C6H12O2 |
5-Methoxy-2-methylindole, 99+%
CAS: 1076-74-0 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.20 MDL Number: MFCD00005620 InChI Key: VSWGLJOQFUMFOQ-UHFFFAOYSA-N Synonym: 5-methoxy-2-methylindole,2-methyl-5-methoxyindole,1h-indole, 5-methoxy-2-methyl,indole, 5-methoxy-2-methyl,pubchem7236,acmc-1buiu,maybridge1_002343,5-methoxy-2 methylindole,2-methyl-5-methoxylindole,2-methyl-5-methoxy indole PubChem CID: 70642 IUPAC Name: 5-methoxy-2-methyl-1H-indole SMILES: COC1=CC=C2NC(C)=CC2=C1
PubChem CID | 70642 |
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CAS | 1076-74-0 |
Molecular Weight (g/mol) | 161.20 |
MDL Number | MFCD00005620 |
SMILES | COC1=CC=C2NC(C)=CC2=C1 |
Synonym | 5-methoxy-2-methylindole,2-methyl-5-methoxyindole,1h-indole, 5-methoxy-2-methyl,indole, 5-methoxy-2-methyl,pubchem7236,acmc-1buiu,maybridge1_002343,5-methoxy-2 methylindole,2-methyl-5-methoxylindole,2-methyl-5-methoxy indole |
IUPAC Name | 5-methoxy-2-methyl-1H-indole |
InChI Key | VSWGLJOQFUMFOQ-UHFFFAOYSA-N |
Molecular Formula | C10H11NO |
1-Octadecanol, 95%
CAS: 112-92-5 Molecular Formula: C18H38O Molecular Weight (g/mol): 270.5 MDL Number: MFCD00002823 InChI Key: GLDOVTGHNKAZLK-UHFFFAOYSA-N Synonym: stearyl alcohol,1-octadecanol,octadecanol,octadecyl alcohol,n-octadecanol,1-hydroxyoctadecane,n-1-octadecanol,stearol,n-octadecyl alcohol,stearic alcohol PubChem CID: 8221 ChEBI: CHEBI:32154 IUPAC Name: octadecan-1-ol SMILES: CCCCCCCCCCCCCCCCCCO
PubChem CID | 8221 |
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CAS | 112-92-5 |
Molecular Weight (g/mol) | 270.5 |
ChEBI | CHEBI:32154 |
MDL Number | MFCD00002823 |
SMILES | CCCCCCCCCCCCCCCCCCO |
Synonym | stearyl alcohol,1-octadecanol,octadecanol,octadecyl alcohol,n-octadecanol,1-hydroxyoctadecane,n-1-octadecanol,stearol,n-octadecyl alcohol,stearic alcohol |
IUPAC Name | octadecan-1-ol |
InChI Key | GLDOVTGHNKAZLK-UHFFFAOYSA-N |
Molecular Formula | C18H38O |
3-Benzoylpropionic acid, 98%
CAS: 2051-95-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00002792 InChI Key: KMQLIDDEQAJAGJ-UHFFFAOYSA-N Synonym: 3-benzoylpropionic acid,4-oxo-4-phenylbutyric acid,3-benzoylpropanoic acid,beta-benzoylpropionic acid,benzoylpropionic acid,propanoic acid, 3-benzoyl,benzenebutanoic acid, .gamma.-oxo,3-benzoylpropionicacid,propionic acid, 3-benzoyl,4-phenyl-4-oxobutyric acid PubChem CID: 72871 ChEBI: CHEBI:64437 IUPAC Name: 4-oxo-4-phenylbutanoic acid SMILES: OC(=O)CCC(=O)C1=CC=CC=C1
PubChem CID | 72871 |
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CAS | 2051-95-8 |
Molecular Weight (g/mol) | 178.19 |
ChEBI | CHEBI:64437 |
MDL Number | MFCD00002792 |
SMILES | OC(=O)CCC(=O)C1=CC=CC=C1 |
Synonym | 3-benzoylpropionic acid,4-oxo-4-phenylbutyric acid,3-benzoylpropanoic acid,beta-benzoylpropionic acid,benzoylpropionic acid,propanoic acid, 3-benzoyl,benzenebutanoic acid, .gamma.-oxo,3-benzoylpropionicacid,propionic acid, 3-benzoyl,4-phenyl-4-oxobutyric acid |
IUPAC Name | 4-oxo-4-phenylbutanoic acid |
InChI Key | KMQLIDDEQAJAGJ-UHFFFAOYSA-N |
Molecular Formula | C10H10O3 |
4,4'-Dichlorobutyrophenone, 97%, Thermo Scientific™
CAS: 40877-09-6 Molecular Formula: C10H10Cl2O Molecular Weight (g/mol): 217.09 MDL Number: MFCD00018993 InChI Key: UKCHLVFIVJBCKE-UHFFFAOYSA-N Synonym: 4-chloro-1-4-chlorophenyl butan-1-one,4,4'-dichlorobutyrophenone,1-butanone, 4-chloro-1-4-chlorophenyl,gamma,p-dichlorobutyrophenone,4-chloro-1-4-chlorophenyl-1-oxobutane,4-chloro-1-4-chlorophenyl-1-butanone,acmc-20a5su,4',gamma-dichlorobutyrophenone,4-chloro-4'-chlorobutyrophenone,4-chloro-4'-chloro-butyrophenone PubChem CID: 2723781 IUPAC Name: 4-chloro-1-(4-chlorophenyl)butan-1-one SMILES: C1=CC(=CC=C1C(=O)CCCCl)Cl
PubChem CID | 2723781 |
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CAS | 40877-09-6 |
Molecular Weight (g/mol) | 217.09 |
MDL Number | MFCD00018993 |
SMILES | C1=CC(=CC=C1C(=O)CCCCl)Cl |
Synonym | 4-chloro-1-4-chlorophenyl butan-1-one,4,4'-dichlorobutyrophenone,1-butanone, 4-chloro-1-4-chlorophenyl,gamma,p-dichlorobutyrophenone,4-chloro-1-4-chlorophenyl-1-oxobutane,4-chloro-1-4-chlorophenyl-1-butanone,acmc-20a5su,4',gamma-dichlorobutyrophenone,4-chloro-4'-chlorobutyrophenone,4-chloro-4'-chloro-butyrophenone |
IUPAC Name | 4-chloro-1-(4-chlorophenyl)butan-1-one |
InChI Key | UKCHLVFIVJBCKE-UHFFFAOYSA-N |
Molecular Formula | C10H10Cl2O |
3-Methoxy-1-propanol, 98%
CAS: 1589-49-7 Molecular Formula: C4H10O2 Molecular Weight (g/mol): 90.12 InChI Key: JDFDHBSESGTDAL-UHFFFAOYSA-N Synonym: 3-methoxy-1-propanol,1-propanol, 3-methoxy,3-methoxypropanol,trimethylene glycol monomethyl ether,beta-pgme,1,3-propanediol monomethyl ether,unii-oak281wz1p,propylene glycol monomethyl ether, beta,oak281wz1p,mpol PubChem CID: 74116 IUPAC Name: 3-methoxypropan-1-ol SMILES: COCCCO
PubChem CID | 74116 |
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CAS | 1589-49-7 |
Molecular Weight (g/mol) | 90.12 |
SMILES | COCCCO |
Synonym | 3-methoxy-1-propanol,1-propanol, 3-methoxy,3-methoxypropanol,trimethylene glycol monomethyl ether,beta-pgme,1,3-propanediol monomethyl ether,unii-oak281wz1p,propylene glycol monomethyl ether, beta,oak281wz1p,mpol |
IUPAC Name | 3-methoxypropan-1-ol |
InChI Key | JDFDHBSESGTDAL-UHFFFAOYSA-N |
Molecular Formula | C4H10O2 |
2-Thiophenecarboxaldehyde, 98%
CAS: 98-03-3 Molecular Formula: C5H4OS Molecular Weight (g/mol): 112.15 MDL Number: MFCD00005429 InChI Key: CNUDBTRUORMMPA-UHFFFAOYSA-N Synonym: 2-thiophenecarboxaldehyde,2-thenaldehyde,thiophene-2-aldehyde,2-formylthiophene,2-thienylaldehyde,2-thiophenealdehyde,thiophene-2-carboxaldehyde,2-thienylcarboxaldehyde,2-thienaldehyde,alpha-formylthiophene PubChem CID: 7364 ChEBI: CHEBI:87301 IUPAC Name: thiophene-2-carbaldehyde SMILES: O=CC1=CC=CS1
PubChem CID | 7364 |
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CAS | 98-03-3 |
Molecular Weight (g/mol) | 112.15 |
ChEBI | CHEBI:87301 |
MDL Number | MFCD00005429 |
SMILES | O=CC1=CC=CS1 |
Synonym | 2-thiophenecarboxaldehyde,2-thenaldehyde,thiophene-2-aldehyde,2-formylthiophene,2-thienylaldehyde,2-thiophenealdehyde,thiophene-2-carboxaldehyde,2-thienylcarboxaldehyde,2-thienaldehyde,alpha-formylthiophene |
IUPAC Name | thiophene-2-carbaldehyde |
InChI Key | CNUDBTRUORMMPA-UHFFFAOYSA-N |
Molecular Formula | C5H4OS |
alpha,alpha,alpha-Trifluoroacetophenone, 99%
CAS: 434-45-7 Molecular Formula: C8H5F3O Molecular Weight (g/mol): 174.12 MDL Number: MFCD00000420 InChI Key: KZJRKRQSDZGHEC-UHFFFAOYSA-N Synonym: trifluoroacetophenone,2,2,2-trifluoroacetophenone,2,2,2-trifluoro-1-phenylethan-1-one,phenyl trifluoromethyl ketone,trifluoromethyl phenyl ketone,alpha,alpha,alpha-trifluoroacetophenone,ethanone, 2,2,2-trifluoro-1-phenyl,2,2,2-trifluoro-1-phenyl-ethanone,trifluoroacetylbenzene,unii-6t7l1upy09 PubChem CID: 9905 IUPAC Name: 2,2,2-trifluoro-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)C(F)(F)F
PubChem CID | 9905 |
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CAS | 434-45-7 |
Molecular Weight (g/mol) | 174.12 |
MDL Number | MFCD00000420 |
SMILES | C1=CC=C(C=C1)C(=O)C(F)(F)F |
Synonym | trifluoroacetophenone,2,2,2-trifluoroacetophenone,2,2,2-trifluoro-1-phenylethan-1-one,phenyl trifluoromethyl ketone,trifluoromethyl phenyl ketone,alpha,alpha,alpha-trifluoroacetophenone,ethanone, 2,2,2-trifluoro-1-phenyl,2,2,2-trifluoro-1-phenyl-ethanone,trifluoroacetylbenzene,unii-6t7l1upy09 |
IUPAC Name | 2,2,2-trifluoro-1-phenylethanone |
InChI Key | KZJRKRQSDZGHEC-UHFFFAOYSA-N |
Molecular Formula | C8H5F3O |
Trimethyl orthoformate, 99%
CAS: 149-73-5 Molecular Formula: C4H10O3 Molecular Weight (g/mol): 106.12 MDL Number: MFCD00008483 InChI Key: PYOKUURKVVELLB-UHFFFAOYSA-N Synonym: trimethyl orthoformate,methyl orthoformate,methane, trimethoxy,orthoformic acid, trimethyl ester,orthoformic acid methyl ester,orthomravencan methylnaty,methoxymethylal,methylester kyseliny orthomravenci,unii-xam28819yj,orthoformic acid trimethyl ester PubChem CID: 9005 IUPAC Name: trimethoxymethane SMILES: COC(OC)OC
PubChem CID | 9005 |
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CAS | 149-73-5 |
Molecular Weight (g/mol) | 106.12 |
MDL Number | MFCD00008483 |
SMILES | COC(OC)OC |
Synonym | trimethyl orthoformate,methyl orthoformate,methane, trimethoxy,orthoformic acid, trimethyl ester,orthoformic acid methyl ester,orthomravencan methylnaty,methoxymethylal,methylester kyseliny orthomravenci,unii-xam28819yj,orthoformic acid trimethyl ester |
IUPAC Name | trimethoxymethane |
InChI Key | PYOKUURKVVELLB-UHFFFAOYSA-N |
Molecular Formula | C4H10O3 |
2-Amino-4'-bromoacetophenone hydrochloride, 98%
CAS: 5467-72-1 Molecular Formula: C8H9BrClNO Molecular Weight (g/mol): 250.52 MDL Number: MFCD00051998 InChI Key: ROAVTVXTYFSQEA-UHFFFAOYSA-N Synonym: 4-bromophenacylamine hydrochloride,2-amino-4'-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethanone hydrochloride,2-amino-4'-bromoacetophenone hcl,2-amino-4-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethan-1-one hydrochloride,a-amino-4'-bromoacetophenone,ethanone, 2-amino-1-4-bromophenyl-, hydrochloride,2-amino-1-4-bromophenyl ethan-1-one,ethanone, 2-amino-1-4-bromophenyl PubChem CID: 2798216 IUPAC Name: 2-amino-1-(4-bromophenyl)ethanone;hydrochloride SMILES: C1=CC(=CC=C1C(=O)CN)Br.Cl
PubChem CID | 2798216 |
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CAS | 5467-72-1 |
Molecular Weight (g/mol) | 250.52 |
MDL Number | MFCD00051998 |
SMILES | C1=CC(=CC=C1C(=O)CN)Br.Cl |
Synonym | 4-bromophenacylamine hydrochloride,2-amino-4'-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethanone hydrochloride,2-amino-4'-bromoacetophenone hcl,2-amino-4-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethan-1-one hydrochloride,a-amino-4'-bromoacetophenone,ethanone, 2-amino-1-4-bromophenyl-, hydrochloride,2-amino-1-4-bromophenyl ethan-1-one,ethanone, 2-amino-1-4-bromophenyl |
IUPAC Name | 2-amino-1-(4-bromophenyl)ethanone;hydrochloride |
InChI Key | ROAVTVXTYFSQEA-UHFFFAOYSA-N |
Molecular Formula | C8H9BrClNO |
6-Methoxy-2(3H)-benzoxazolone, 98+%
CAS: 532-91-2 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.148 MDL Number: MFCD00051726 InChI Key: MKMCJLMBVKHUMS-UHFFFAOYSA-N Synonym: coixol,6-methoxy-2-benzoxazolinone,6-methoxybenzo d oxazol-2 3h-one,6-methoxybenzoxazolinone,mboa,6-mboa,6-methoxy-2 3h-benzoxazolone,2-benzoxazolinone, 6-methoxy,2 3h-benzoxazolone, 6-methoxy,6-methoxy-1,3-benzoxazol-2 3h-one PubChem CID: 10772 IUPAC Name: 6-methoxy-3H-1,3-benzoxazol-2-one SMILES: COC1=CC2=C(C=C1)NC(=O)O2
PubChem CID | 10772 |
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CAS | 532-91-2 |
Molecular Weight (g/mol) | 165.148 |
MDL Number | MFCD00051726 |
SMILES | COC1=CC2=C(C=C1)NC(=O)O2 |
Synonym | coixol,6-methoxy-2-benzoxazolinone,6-methoxybenzo d oxazol-2 3h-one,6-methoxybenzoxazolinone,mboa,6-mboa,6-methoxy-2 3h-benzoxazolone,2-benzoxazolinone, 6-methoxy,2 3h-benzoxazolone, 6-methoxy,6-methoxy-1,3-benzoxazol-2 3h-one |
IUPAC Name | 6-methoxy-3H-1,3-benzoxazol-2-one |
InChI Key | MKMCJLMBVKHUMS-UHFFFAOYSA-N |
Molecular Formula | C8H7NO3 |
1-Bromo-2-(2-methoxyethoxy)ethane, tech. 90%, stab. with sodium carbonate
CAS: 54149-17-6 Molecular Formula: C5H11BrO2 Molecular Weight (g/mol): 183.05 MDL Number: MFCD00000238 InChI Key: HUXJXNSHCKHFIL-UHFFFAOYSA-N Synonym: 1-bromo-2-2-methoxyethoxy ethane,1-2-bromoethoxy-2-methoxyethane,1-bromo-3,6-dioxaheptane,ethane, 1-2-bromoethoxy-2-methoxy,2-2-methoxyethoxy ethyl bromide,1-2-bromoethoxy-2-methoxy-ethane,1-bromo-2-2-methoxy-ethoxy ethane,mpeg2-br,acmc-1alws,7-bromo-2,5-dioxaheptane PubChem CID: 123532 IUPAC Name: 1-(2-bromoethoxy)-2-methoxyethane SMILES: COCCOCCBr
PubChem CID | 123532 |
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CAS | 54149-17-6 |
Molecular Weight (g/mol) | 183.05 |
MDL Number | MFCD00000238 |
SMILES | COCCOCCBr |
Synonym | 1-bromo-2-2-methoxyethoxy ethane,1-2-bromoethoxy-2-methoxyethane,1-bromo-3,6-dioxaheptane,ethane, 1-2-bromoethoxy-2-methoxy,2-2-methoxyethoxy ethyl bromide,1-2-bromoethoxy-2-methoxy-ethane,1-bromo-2-2-methoxy-ethoxy ethane,mpeg2-br,acmc-1alws,7-bromo-2,5-dioxaheptane |
IUPAC Name | 1-(2-bromoethoxy)-2-methoxyethane |
InChI Key | HUXJXNSHCKHFIL-UHFFFAOYSA-N |
Molecular Formula | C5H11BrO2 |
2-Butynal diethyl acetal, 98%
CAS: 2806-97-5 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00009274 InChI Key: FKKVKKSEVMQYER-UHFFFAOYSA-N Synonym: 2-butynal diethyl acetal,2-butyn-1-al diethyl acetal,2-butynyl aldehyde diethyl acetal,2-butyne, 1,1-diethoxy,1,1-diethoxy-but-2-yne,1-diethoxybut-2-yne,acmc-20ao12,tetrolaldehyde diethyl acetal,1,1-diethoxy-2-butyne # PubChem CID: 137721 IUPAC Name: 1,1-diethoxybut-2-yne SMILES: CCOC(OCC)C#CC
PubChem CID | 137721 |
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CAS | 2806-97-5 |
Molecular Weight (g/mol) | 142.20 |
MDL Number | MFCD00009274 |
SMILES | CCOC(OCC)C#CC |
Synonym | 2-butynal diethyl acetal,2-butyn-1-al diethyl acetal,2-butynyl aldehyde diethyl acetal,2-butyne, 1,1-diethoxy,1,1-diethoxy-but-2-yne,1-diethoxybut-2-yne,acmc-20ao12,tetrolaldehyde diethyl acetal,1,1-diethoxy-2-butyne # |
IUPAC Name | 1,1-diethoxybut-2-yne |
InChI Key | FKKVKKSEVMQYER-UHFFFAOYSA-N |
Molecular Formula | C8H14O2 |