Organooxygen compounds
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3,3-Dimethoxypropanenitrile, 90%
CAS: 57597-62-3 Molecular Formula: C5H9NO2 Molecular Weight (g/mol): 115.13 MDL Number: MFCD00044797 InChI Key: JYHSJQNYYLGMEI-UHFFFAOYSA-N PubChem CID: 93731 IUPAC Name: 3,3-dimethoxypropanenitrile SMILES: COC(CC#N)OC
| PubChem CID | 93731 |
|---|---|
| CAS | 57597-62-3 |
| Molecular Weight (g/mol) | 115.13 |
| MDL Number | MFCD00044797 |
| SMILES | COC(CC#N)OC |
| IUPAC Name | 3,3-dimethoxypropanenitrile |
| InChI Key | JYHSJQNYYLGMEI-UHFFFAOYSA-N |
| Molecular Formula | C5H9NO2 |
2-Chloroisonicotinaldehyde, 97%, Thermo Scientific™
CAS: 101066-61-9 Molecular Formula: C6H4ClNO Molecular Weight (g/mol): 141.55 MDL Number: MFCD06651557 InChI Key: UFPOSTQMFOYHJI-UHFFFAOYSA-N Synonym: 2-chloroisonicotinaldehyde,2-chloro-4-pyridinecarboxaldehyde,2-chloro-4-formylpyridine,2-chloro-pyridine-4-carbaldehyde,2-chloropyridine-4-carboxaldehyde,4-pyridinecarboxaldehyde, 2-chloro,pubchem5099,6-chloroisonicotinaldehyde,ksc180g9n,2-chloropyridin-4-carbaldehyde PubChem CID: 2762994 IUPAC Name: 2-chloropyridine-4-carbaldehyde SMILES: ClC1=CC(C=O)=CC=N1
| PubChem CID | 2762994 |
|---|---|
| CAS | 101066-61-9 |
| Molecular Weight (g/mol) | 141.55 |
| MDL Number | MFCD06651557 |
| SMILES | ClC1=CC(C=O)=CC=N1 |
| Synonym | 2-chloroisonicotinaldehyde,2-chloro-4-pyridinecarboxaldehyde,2-chloro-4-formylpyridine,2-chloro-pyridine-4-carbaldehyde,2-chloropyridine-4-carboxaldehyde,4-pyridinecarboxaldehyde, 2-chloro,pubchem5099,6-chloroisonicotinaldehyde,ksc180g9n,2-chloropyridin-4-carbaldehyde |
| IUPAC Name | 2-chloropyridine-4-carbaldehyde |
| InChI Key | UFPOSTQMFOYHJI-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO |
2-(Trifluoroacetyl)thiophene, 98%, Thermo Scientific™
CAS: 651-70-7 Molecular Formula: C6H3F3OS Molecular Weight (g/mol): 180.15 InChI Key: CZYKJGCKVBXLGF-UHFFFAOYSA-N Synonym: 2-trifluoroacetyl thiophene,2,2,2-trifluoro-1-thiophen-2-yl ethanone,ethanone, 2,2,2-trifluoro-1-2-thienyl,2,2,2-trifluoro-1-2-thienyl ethanone,ethanone,2,2,2-trifluoro-1-2-thienyl,2,2,2-trifluoro-1-thiophen-2-yl ethan-1-one,2,2,2-trifluoro-1-2-thienyl ethan-1-one,acmc-20aolw,trifluoroacetylthiophene,2-trifluoroacetylthiophene PubChem CID: 136464 IUPAC Name: 2,2,2-trifluoro-1-thiophen-2-ylethanone SMILES: C1=CSC(=C1)C(=O)C(F)(F)F
| PubChem CID | 136464 |
|---|---|
| CAS | 651-70-7 |
| Molecular Weight (g/mol) | 180.15 |
| SMILES | C1=CSC(=C1)C(=O)C(F)(F)F |
| Synonym | 2-trifluoroacetyl thiophene,2,2,2-trifluoro-1-thiophen-2-yl ethanone,ethanone, 2,2,2-trifluoro-1-2-thienyl,2,2,2-trifluoro-1-2-thienyl ethanone,ethanone,2,2,2-trifluoro-1-2-thienyl,2,2,2-trifluoro-1-thiophen-2-yl ethan-1-one,2,2,2-trifluoro-1-2-thienyl ethan-1-one,acmc-20aolw,trifluoroacetylthiophene,2-trifluoroacetylthiophene |
| IUPAC Name | 2,2,2-trifluoro-1-thiophen-2-ylethanone |
| InChI Key | CZYKJGCKVBXLGF-UHFFFAOYSA-N |
| Molecular Formula | C6H3F3OS |
3-Methoxypropionic acid, 97+%
CAS: 2544-06-1 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.11 InChI Key: YSIKHBWUBSFBRZ-UHFFFAOYSA-N PubChem CID: 134442 IUPAC Name: 3-methoxypropanoic acid SMILES: COCCC(=O)O
| PubChem CID | 134442 |
|---|---|
| CAS | 2544-06-1 |
| Molecular Weight (g/mol) | 104.11 |
| SMILES | COCCC(=O)O |
| IUPAC Name | 3-methoxypropanoic acid |
| InChI Key | YSIKHBWUBSFBRZ-UHFFFAOYSA-N |
| Molecular Formula | C4H8O3 |
6-Methyl-3,5-heptadiene-2-one, 96%, Thermo Scientific™
CAS: 1604-28-0 Molecular Formula: C8H12O Molecular Weight (g/mol): 124.18 InChI Key: KSKXSFZGARKWOW-GQCTYLIASA-N Synonym: 6-methyl-3,5-heptadien-2-one,6-methylhepta-3,5-dien-2-one,methylheptadienone,unii-p7cmp2e76c,3,5-heptadien-2-one, 6-methyl,3e-6-methylhepta-3,5-dien-2-one,3,5-heptadien-2-one, 6-methyl-, e,6-methyl-trans-3,5-heptadien-2-one,p7cmp2e76c,fema no. 3363 PubChem CID: 5370101 IUPAC Name: (3E)-6-methylhepta-3,5-dien-2-one SMILES: CC(=CC=CC(=O)C)C
| PubChem CID | 5370101 |
|---|---|
| CAS | 1604-28-0 |
| Molecular Weight (g/mol) | 124.18 |
| SMILES | CC(=CC=CC(=O)C)C |
| Synonym | 6-methyl-3,5-heptadien-2-one,6-methylhepta-3,5-dien-2-one,methylheptadienone,unii-p7cmp2e76c,3,5-heptadien-2-one, 6-methyl,3e-6-methylhepta-3,5-dien-2-one,3,5-heptadien-2-one, 6-methyl-, e,6-methyl-trans-3,5-heptadien-2-one,p7cmp2e76c,fema no. 3363 |
| IUPAC Name | (3E)-6-methylhepta-3,5-dien-2-one |
| InChI Key | KSKXSFZGARKWOW-GQCTYLIASA-N |
| Molecular Formula | C8H12O |
Propiolaldehyde diethyl acetal, 97%
CAS: 10160-87-9 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00009237 InChI Key: RGUXEWWHSQGVRZ-UHFFFAOYSA-N PubChem CID: 66285 IUPAC Name: 3,3-diethoxyprop-1-yne SMILES: CCOC(OCC)C#C
| PubChem CID | 66285 |
|---|---|
| CAS | 10160-87-9 |
| Molecular Weight (g/mol) | 128.17 |
| MDL Number | MFCD00009237 |
| SMILES | CCOC(OCC)C#C |
| IUPAC Name | 3,3-diethoxyprop-1-yne |
| InChI Key | RGUXEWWHSQGVRZ-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
2'-Iodoacetophenone, 99+%, Thermo Scientific Chemicals
CAS: 2142-70-3 Molecular Formula: C8H7IO Molecular Weight (g/mol): 246.04 MDL Number: MFCD00094998 InChI Key: XDXCBCXNCQGZPG-UHFFFAOYSA-N Synonym: 2'-iodoacetophenone,1-2-iodophenyl ethanone,o-iodoacetophenone,1-2-iodophenyl ethan-1-one,o-iodobenzoyl,acetophenone, o-iodo,acetophenone, 2'-iodo,ethanone, 1-iodophenyl,ethanone, 1-2-iodophenyl,1-acetyl-2-iodobenzene PubChem CID: 240431 IUPAC Name: 1-(2-iodophenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1I
| PubChem CID | 240431 |
|---|---|
| CAS | 2142-70-3 |
| Molecular Weight (g/mol) | 246.04 |
| MDL Number | MFCD00094998 |
| SMILES | CC(=O)C1=CC=CC=C1I |
| Synonym | 2'-iodoacetophenone,1-2-iodophenyl ethanone,o-iodoacetophenone,1-2-iodophenyl ethan-1-one,o-iodobenzoyl,acetophenone, o-iodo,acetophenone, 2'-iodo,ethanone, 1-iodophenyl,ethanone, 1-2-iodophenyl,1-acetyl-2-iodobenzene |
| IUPAC Name | 1-(2-iodophenyl)ethanone |
| InChI Key | XDXCBCXNCQGZPG-UHFFFAOYSA-N |
| Molecular Formula | C8H7IO |
3-Furaldehyde, 98%, stabilized
CAS: 498-60-2 Molecular Formula: C5H4O2 Molecular Weight (g/mol): 96.08 InChI Key: AZVSIHIBYRHSLB-UHFFFAOYSA-N Synonym: 3-furaldehyde,3-furancarboxaldehyde,furan-3-carboxaldehyde,3-formylfuran,3-furfural,unii-pob632x444,3furaldehyde,3-furancarbaldehyde,pubchem6948 PubChem CID: 10351 ChEBI: CHEBI:87609 IUPAC Name: furan-3-carbaldehyde SMILES: C1=COC=C1C=O
| PubChem CID | 10351 |
|---|---|
| CAS | 498-60-2 |
| Molecular Weight (g/mol) | 96.08 |
| ChEBI | CHEBI:87609 |
| SMILES | C1=COC=C1C=O |
| Synonym | 3-furaldehyde,3-furancarboxaldehyde,furan-3-carboxaldehyde,3-formylfuran,3-furfural,unii-pob632x444,3furaldehyde,3-furancarbaldehyde,pubchem6948 |
| IUPAC Name | furan-3-carbaldehyde |
| InChI Key | AZVSIHIBYRHSLB-UHFFFAOYSA-N |
| Molecular Formula | C5H4O2 |
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 |
|---|---|
| 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 |
alpha-Bromo-2'-acetonaphthone, 98%
CAS: 613-54-7 MDL Number: MFCD00004109 InChI Key: YHXHHGDUANVQHE-UHFFFAOYSA-N Synonym: 2-bromo-2'-acetonaphthone,bromomethyl 2-naphthyl ketone,2-bromoacetyl naphthalene,2-bromo-1-naphthalen-2-yl ethanone,2-bromo-1-2-naphthyl-1-ethanone,ethanone, 2-bromo-1-2-naphthalenyl,2-bromo-1-2-naphthyl ethanone,2-bromo-1-naphthalen-2-yl ethan-1-one,alpha-bromo-2'-acetonaphthone,2-bromo-1-naphthalen-2-yl-ethanone PubChem CID: 69179 IUPAC Name: 2-bromo-1-naphthalen-2-ylethanone SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)CBr
| PubChem CID | 69179 |
|---|---|
| CAS | 613-54-7 |
| MDL Number | MFCD00004109 |
| SMILES | C1=CC=C2C=C(C=CC2=C1)C(=O)CBr |
| Synonym | 2-bromo-2'-acetonaphthone,bromomethyl 2-naphthyl ketone,2-bromoacetyl naphthalene,2-bromo-1-naphthalen-2-yl ethanone,2-bromo-1-2-naphthyl-1-ethanone,ethanone, 2-bromo-1-2-naphthalenyl,2-bromo-1-2-naphthyl ethanone,2-bromo-1-naphthalen-2-yl ethan-1-one,alpha-bromo-2'-acetonaphthone,2-bromo-1-naphthalen-2-yl-ethanone |
| IUPAC Name | 2-bromo-1-naphthalen-2-ylethanone |
| InChI Key | YHXHHGDUANVQHE-UHFFFAOYSA-N |
5-Methoxyisatin, 97%
CAS: 39755-95-8 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.16 MDL Number: MFCD00169023 InChI Key: DMHGXMPXHPOXBF-UHFFFAOYSA-N Synonym: 5-methoxyisatin,5-methoxyindoline-2,3-dione,5-methoxy-2,3-indolinedione,1h-indole-2,3-dione, 5-methoxy,5-methoxy-indole-2,3-dione,5-methoxy isatin,5-methoxyindole-2,3-dione,5-methoxy-2,3-dihydro-1h-indole-2,3-dione,indole-2,3-dione, 5-methoxy,1h-indole-2,3-dione, 5-methoxy-9ci PubChem CID: 38333 SMILES: COC1=CC=C2NC(=O)C(=O)C2=C1
| PubChem CID | 38333 |
|---|---|
| CAS | 39755-95-8 |
| Molecular Weight (g/mol) | 177.16 |
| MDL Number | MFCD00169023 |
| SMILES | COC1=CC=C2NC(=O)C(=O)C2=C1 |
| Synonym | 5-methoxyisatin,5-methoxyindoline-2,3-dione,5-methoxy-2,3-indolinedione,1h-indole-2,3-dione, 5-methoxy,5-methoxy-indole-2,3-dione,5-methoxy isatin,5-methoxyindole-2,3-dione,5-methoxy-2,3-dihydro-1h-indole-2,3-dione,indole-2,3-dione, 5-methoxy,1h-indole-2,3-dione, 5-methoxy-9ci |
| InChI Key | DMHGXMPXHPOXBF-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO3 |
Pyruvic Acid 97.0+%, TCI America™
CAS: 127-17-3 Molecular Formula: C3H4O3 Molecular Weight (g/mol): 88.06 MDL Number: MFCD00002585 InChI Key: LCTONWCANYUPML-UHFFFAOYSA-N Synonym: pyruvic acid,pyroracemic acid,2-oxopropionic acid,acetylformic acid,alpha-ketopropionic acid,2-ketopropionic acid,2-oxopropanoate,propanoic acid, 2-oxo,2-oxo-propionic acid,2-oxopropansaeure PubChem CID: 1060 ChEBI: CHEBI:32816 IUPAC Name: 2-oxopropanoic acid SMILES: CC(=O)C(O)=O
| PubChem CID | 1060 |
|---|---|
| CAS | 127-17-3 |
| Molecular Weight (g/mol) | 88.06 |
| ChEBI | CHEBI:32816 |
| MDL Number | MFCD00002585 |
| SMILES | CC(=O)C(O)=O |
| Synonym | pyruvic acid,pyroracemic acid,2-oxopropionic acid,acetylformic acid,alpha-ketopropionic acid,2-ketopropionic acid,2-oxopropanoate,propanoic acid, 2-oxo,2-oxo-propionic acid,2-oxopropansaeure |
| IUPAC Name | 2-oxopropanoic acid |
| InChI Key | LCTONWCANYUPML-UHFFFAOYSA-N |
| Molecular Formula | C3H4O3 |
trans,trans-2,4-Heptadienal 90.0+%, TCI America™
CAS: 4313-03-5 Molecular Formula: C7H10O Molecular Weight (g/mol): 110.16 MDL Number: MFCD00007005 InChI Key: SATICYYAWWYRAM-VNKDHWASSA-N PubChem CID: 5283321 IUPAC Name: (2E,4E)-hepta-2,4-dienal SMILES: CCC=CC=CC=O
| PubChem CID | 5283321 |
|---|---|
| CAS | 4313-03-5 |
| Molecular Weight (g/mol) | 110.16 |
| MDL Number | MFCD00007005 |
| SMILES | CCC=CC=CC=O |
| IUPAC Name | (2E,4E)-hepta-2,4-dienal |
| InChI Key | SATICYYAWWYRAM-VNKDHWASSA-N |
| Molecular Formula | C7H10O |
(+/-)-1-Phenylethyl Alcohol 98.0+%, TCI America™
CAS: 98-85-1 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00004508 InChI Key: WAPNOHKVXSQRPX-UHFFFAOYSA-N Synonym: methylphenyl carbinol,1-phenylethan-1-ol,alpha-methylbenzyl alcohol,styralyl alcohol,1-phenethyl alcohol,styrallyl alcohol,methylphenylcarbinol,1-phenylethyl alcohol,phenylmethylcarbinol,1-hydroxyethyl benzene PubChem CID: 7409 ChEBI: CHEBI:669 IUPAC Name: 1-phenylethanol SMILES: CC(C1=CC=CC=C1)O
| PubChem CID | 7409 |
|---|---|
| CAS | 98-85-1 |
| Molecular Weight (g/mol) | 122.167 |
| ChEBI | CHEBI:669 |
| MDL Number | MFCD00004508 |
| SMILES | CC(C1=CC=CC=C1)O |
| Synonym | methylphenyl carbinol,1-phenylethan-1-ol,alpha-methylbenzyl alcohol,styralyl alcohol,1-phenethyl alcohol,styrallyl alcohol,methylphenylcarbinol,1-phenylethyl alcohol,phenylmethylcarbinol,1-hydroxyethyl benzene |
| IUPAC Name | 1-phenylethanol |
| InChI Key | WAPNOHKVXSQRPX-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
5-Hydroxymethyl-2-furaldehyde (stabilized with Water) 95.0+%, TCI America™
CAS: 67-47-0 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.111 MDL Number: MFCD00003234 InChI Key: NOEGNKMFWQHSLB-UHFFFAOYSA-N Synonym: 5-hydroxymethylfurfural,5-hydroxymethyl-2-furaldehyde,5-hydroxymethyl furfural,5-hydroxymethyl furan-2-carbaldehyde,hydroxymethylfurfural,5-hydroxymethyl-2-furfural,5-oxymethylfurfurole,5-hydroxymethylfuraldehyde,hydroxymethylfurfurole PubChem CID: 237332 ChEBI: CHEBI:412516 IUPAC Name: 5-(hydroxymethyl)furan-2-carbaldehyde SMILES: C1=C(OC(=C1)C=O)CO
| PubChem CID | 237332 |
|---|---|
| CAS | 67-47-0 |
| Molecular Weight (g/mol) | 126.111 |
| ChEBI | CHEBI:412516 |
| MDL Number | MFCD00003234 |
| SMILES | C1=C(OC(=C1)C=O)CO |
| Synonym | 5-hydroxymethylfurfural,5-hydroxymethyl-2-furaldehyde,5-hydroxymethyl furfural,5-hydroxymethyl furan-2-carbaldehyde,hydroxymethylfurfural,5-hydroxymethyl-2-furfural,5-oxymethylfurfurole,5-hydroxymethylfuraldehyde,hydroxymethylfurfurole |
| IUPAC Name | 5-(hydroxymethyl)furan-2-carbaldehyde |
| InChI Key | NOEGNKMFWQHSLB-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3 |