Organooxygen compounds
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3,5-Dimethoxybenzaldehyde, 98%
CAS: 7311-34-4 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00003366 InChI Key: VFZRZRDOXPRTSC-UHFFFAOYSA-N Synonym: 3,5-dimethoxy-benzaldehyde,benzaldehyde, 3,5-dimethoxy,3,5-dimethoxybenzaldehyd,pubchem2645,3,5 dimethoxybenzaldehyde,acmc-1bhx6,3,5 dimethoxylbenzaldehyde,3,5 dimethoxy benzaldehyde,3,5-dimethoxy benzaldehyde,ghl.pd_mitscher_leg0.694 PubChem CID: 81747 IUPAC Name: 3,5-dimethoxybenzaldehyde SMILES: COC1=CC(C=O)=CC(OC)=C1
| PubChem CID | 81747 |
|---|---|
| CAS | 7311-34-4 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00003366 |
| SMILES | COC1=CC(C=O)=CC(OC)=C1 |
| Synonym | 3,5-dimethoxy-benzaldehyde,benzaldehyde, 3,5-dimethoxy,3,5-dimethoxybenzaldehyd,pubchem2645,3,5 dimethoxybenzaldehyde,acmc-1bhx6,3,5 dimethoxylbenzaldehyde,3,5 dimethoxy benzaldehyde,3,5-dimethoxy benzaldehyde,ghl.pd_mitscher_leg0.694 |
| IUPAC Name | 3,5-dimethoxybenzaldehyde |
| InChI Key | VFZRZRDOXPRTSC-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Azaperone
CAS: 1649-18-9 Molecular Formula: C19H22FN3O Molecular Weight (g/mol): 327.40 MDL Number: MFCD00866692 InChI Key: XTKDAFGWCDAMPY-UHFFFAOYSA-N Synonym: azaperone,stresnil,fluoperidol,suicalm,azaperon,azeperone,eucalmyl,sedaperone vet,azaperona,azaperonum PubChem CID: 15443 IUPAC Name: 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one SMILES: FC1=CC=C(C=C1)C(=O)CCCN1CCN(CC1)C1=CC=CC=N1
| PubChem CID | 15443 |
|---|---|
| CAS | 1649-18-9 |
| Molecular Weight (g/mol) | 327.40 |
| MDL Number | MFCD00866692 |
| SMILES | FC1=CC=C(C=C1)C(=O)CCCN1CCN(CC1)C1=CC=CC=N1 |
| Synonym | azaperone,stresnil,fluoperidol,suicalm,azaperon,azeperone,eucalmyl,sedaperone vet,azaperona,azaperonum |
| IUPAC Name | 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one |
| InChI Key | XTKDAFGWCDAMPY-UHFFFAOYSA-N |
| Molecular Formula | C19H22FN3O |
1-Methoxy-2-butanol, Thermo Scientific Chemicals
CAS: 53778-73-7 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 InChI Key: CSZZMFWKAQEMPB-UHFFFAOYNA-N IUPAC Name: 1-methoxybutan-2-ol SMILES: CCC(O)COC
| CAS | 53778-73-7 |
|---|---|
| Molecular Weight (g/mol) | 104.15 |
| SMILES | CCC(O)COC |
| IUPAC Name | 1-methoxybutan-2-ol |
| InChI Key | CSZZMFWKAQEMPB-UHFFFAOYNA-N |
| Molecular Formula | C5H12O2 |
2'-Hydroxy-4',5'-dimethylacetophenone, 98%
CAS: 36436-65-4 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00002306 InChI Key: YXVSURZEXVMUAM-UHFFFAOYSA-N PubChem CID: 118976 IUPAC Name: 1-(2-hydroxy-4,5-dimethylphenyl)ethanone SMILES: CC1=C(C=C(C(=C1)C(=O)C)O)C
| PubChem CID | 118976 |
|---|---|
| CAS | 36436-65-4 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00002306 |
| SMILES | CC1=C(C=C(C(=C1)C(=O)C)O)C |
| IUPAC Name | 1-(2-hydroxy-4,5-dimethylphenyl)ethanone |
| InChI Key | YXVSURZEXVMUAM-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
trans-2,cis-6-Nonadienal, 90+% (major isomer), remainder mainly trans,trans-isomer
CAS: 557-48-2 Molecular Formula: C9H14O Molecular Weight (g/mol): 138.21 MDL Number: MFCD00007009 InChI Key: HZYHMHHBBBSGHB-ODYTWBPASA-N Synonym: trans-2,cis-6-nonadienal,violet leaf aldehyde,cucumber aldehyde,2e,6z-nona-2,6-dienal,2,6-nonadienal, 2e,6z,nona-2,6-dienal,e,z-2,6-nonadienal,2e,6z-nonadienal,2e,6z-nona-2,6-dien-1-al,2-trans-6-cis-nonadienal PubChem CID: 643731 ChEBI: CHEBI:7610 IUPAC Name: (2E,6Z)-nona-2,6-dienal SMILES: CCC=CCCC=CC=O
| PubChem CID | 643731 |
|---|---|
| CAS | 557-48-2 |
| Molecular Weight (g/mol) | 138.21 |
| ChEBI | CHEBI:7610 |
| MDL Number | MFCD00007009 |
| SMILES | CCC=CCCC=CC=O |
| Synonym | trans-2,cis-6-nonadienal,violet leaf aldehyde,cucumber aldehyde,2e,6z-nona-2,6-dienal,2,6-nonadienal, 2e,6z,nona-2,6-dienal,e,z-2,6-nonadienal,2e,6z-nonadienal,2e,6z-nona-2,6-dien-1-al,2-trans-6-cis-nonadienal |
| IUPAC Name | (2E,6Z)-nona-2,6-dienal |
| InChI Key | HZYHMHHBBBSGHB-ODYTWBPASA-N |
| Molecular Formula | C9H14O |
Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)terbium(III), 99%, Thermo Scientific Chemicals
CAS: 15492-51-0 Molecular Formula: C33H57O6Tb Molecular Weight (g/mol): 708.74 MDL Number: MFCD00064752 InChI Key: DIIXZXQKWUIOAN-UHFFFAOYSA-N Synonym: tb tmhd 3,terbium iii tris 2,2,6,6-tetramethyl-3,5-heptanedionate PubChem CID: 133109942 SMILES: [Tb+3].CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C
| PubChem CID | 133109942 |
|---|---|
| CAS | 15492-51-0 |
| Molecular Weight (g/mol) | 708.74 |
| MDL Number | MFCD00064752 |
| SMILES | [Tb+3].CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C |
| Synonym | tb tmhd 3,terbium iii tris 2,2,6,6-tetramethyl-3,5-heptanedionate |
| InChI Key | DIIXZXQKWUIOAN-UHFFFAOYSA-N |
| Molecular Formula | C33H57O6Tb |
2-Methoxyethanol, ACS reagent
CAS: 109-86-4 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.09 InChI Key: XNWFRZJHXBZDAG-UHFFFAOYSA-N Synonym: methyl cellosolve,ethanol, 2-methoxy,ethylene glycol monomethyl ether,methyl oxitol,2-methoxy-1-ethanol,methoxyethanol,3-oxa-1-butanol,egme,monomethyl glycol,dowanol em PubChem CID: 8019 ChEBI: CHEBI:46790 IUPAC Name: 2-methoxyethanol SMILES: COCCO
| PubChem CID | 8019 |
|---|---|
| CAS | 109-86-4 |
| Molecular Weight (g/mol) | 76.09 |
| ChEBI | CHEBI:46790 |
| SMILES | COCCO |
| Synonym | methyl cellosolve,ethanol, 2-methoxy,ethylene glycol monomethyl ether,methyl oxitol,2-methoxy-1-ethanol,methoxyethanol,3-oxa-1-butanol,egme,monomethyl glycol,dowanol em |
| IUPAC Name | 2-methoxyethanol |
| InChI Key | XNWFRZJHXBZDAG-UHFFFAOYSA-N |
| Molecular Formula | C3H8O2 |
2,6-Pyridinedicarboxaldehyde, 97%
CAS: 5431-44-7 Molecular Formula: C7H5NO2 Molecular Weight (g/mol): 135.12 InChI Key: PMWXGSWIOOVHEQ-UHFFFAOYSA-N Synonym: 2,6-pyridinedicarboxaldehyde,2,6-diformylpyridine,2,6-pyridine dialdehyde,2,6-pyridinedicarbaldehyde,pubchem22285,acmc-1ap0d,pyda72,2,6-pyridinedicarboxadehyde,2,6-pyridine dicarboxaldehyde,2,6-pyridinedicarbaldehyde # PubChem CID: 79485 IUPAC Name: pyridine-2,6-dicarbaldehyde SMILES: C1=CC(=NC(=C1)C=O)C=O
| PubChem CID | 79485 |
|---|---|
| CAS | 5431-44-7 |
| Molecular Weight (g/mol) | 135.12 |
| SMILES | C1=CC(=NC(=C1)C=O)C=O |
| Synonym | 2,6-pyridinedicarboxaldehyde,2,6-diformylpyridine,2,6-pyridine dialdehyde,2,6-pyridinedicarbaldehyde,pubchem22285,acmc-1ap0d,pyda72,2,6-pyridinedicarboxadehyde,2,6-pyridine dicarboxaldehyde,2,6-pyridinedicarbaldehyde # |
| IUPAC Name | pyridine-2,6-dicarbaldehyde |
| InChI Key | PMWXGSWIOOVHEQ-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO2 |
5-Phenyl-2-furaldehyde, 96%
CAS: 13803-39-9 Molecular Formula: C11H8O2 Molecular Weight (g/mol): 172.19 InChI Key: BMJHNNPEPBZULA-UHFFFAOYSA-N Synonym: 5-phenyl-2-furaldehyde,2-formyl-5-phenylfuran,5-phenyl-furan-2-carbaldehyde,5-phenylfurfural,2-furancarboxaldehyde,5-phenyl,5-phenylfuraldehyde,acmc-209y7p,5-phenyl-2-furancarboxaldehyde PubChem CID: 2769420 IUPAC Name: 5-phenylfuran-2-carbaldehyde SMILES: C1=CC=C(C=C1)C2=CC=C(O2)C=O
| PubChem CID | 2769420 |
|---|---|
| CAS | 13803-39-9 |
| Molecular Weight (g/mol) | 172.19 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(O2)C=O |
| Synonym | 5-phenyl-2-furaldehyde,2-formyl-5-phenylfuran,5-phenyl-furan-2-carbaldehyde,5-phenylfurfural,2-furancarboxaldehyde,5-phenyl,5-phenylfuraldehyde,acmc-209y7p,5-phenyl-2-furancarboxaldehyde |
| IUPAC Name | 5-phenylfuran-2-carbaldehyde |
| InChI Key | BMJHNNPEPBZULA-UHFFFAOYSA-N |
| Molecular Formula | C11H8O2 |
4-Bromocrotonic acid benzoylmethyl ester, 97%, Thermo Scientific Chemicals
CAS: 154561-38-3 Molecular Formula: C12H11BrO3 Molecular Weight (g/mol): 283.12 MDL Number: MFCD00236054 InChI Key: JARTYZWEUJDLPS-UHFFFAOYSA-N Synonym: 2-oxo-2-phenylethyl 4-bromobut-2-enoate,acmc-20ajxj,2-butenoic acid,4-bromo-, 2-oxo-2-phenylethyl ester PubChem CID: 53412107 IUPAC Name: phenacyl 4-bromobut-2-enoate SMILES: BrCC=CC(=O)OCC(=O)C1=CC=CC=C1
| PubChem CID | 53412107 |
|---|---|
| CAS | 154561-38-3 |
| Molecular Weight (g/mol) | 283.12 |
| MDL Number | MFCD00236054 |
| SMILES | BrCC=CC(=O)OCC(=O)C1=CC=CC=C1 |
| Synonym | 2-oxo-2-phenylethyl 4-bromobut-2-enoate,acmc-20ajxj,2-butenoic acid,4-bromo-, 2-oxo-2-phenylethyl ester |
| IUPAC Name | phenacyl 4-bromobut-2-enoate |
| InChI Key | JARTYZWEUJDLPS-UHFFFAOYSA-N |
| Molecular Formula | C12H11BrO3 |
Ethyl 4,4,4-trifluoro-2-methylacetoacetate, 96%
CAS: 344-00-3 Molecular Formula: C7H9F3O3 Molecular Weight (g/mol): 198.141 MDL Number: MFCD00190635 InChI Key: YLRGPBKEZVHOAW-UHFFFAOYSA-N Synonym: ethyl 2-methyl-4,4,4-trifluoroacetoacetate,butanoic acid, 4,4,4-trifluoro-2-methyl-3-oxo-, ethyl ester,zlchem 125,acmc-20al0w,ethyl 2-methyltrifluoroacetoacetate,ethyl 2-methyl-4,4,4-trifluoro acetoacetate,ethyl alpha-methyl-4,4,4-trifluoroacetoacetate,ethyl4,4,4-trifluoro-2-methyl-3-oxobutanoate,ethyl 3-keto-2-methyl-4,4,4-trifluorobutanoate,ethyl 4,4,4-trifluoro-2-methyl-3-oxo-butanoate PubChem CID: 2737204 IUPAC Name: ethyl 4,4,4-trifluoro-2-methyl-3-oxobutanoate SMILES: CCOC(=O)C(C)C(=O)C(F)(F)F
| PubChem CID | 2737204 |
|---|---|
| CAS | 344-00-3 |
| Molecular Weight (g/mol) | 198.141 |
| MDL Number | MFCD00190635 |
| SMILES | CCOC(=O)C(C)C(=O)C(F)(F)F |
| Synonym | ethyl 2-methyl-4,4,4-trifluoroacetoacetate,butanoic acid, 4,4,4-trifluoro-2-methyl-3-oxo-, ethyl ester,zlchem 125,acmc-20al0w,ethyl 2-methyltrifluoroacetoacetate,ethyl 2-methyl-4,4,4-trifluoro acetoacetate,ethyl alpha-methyl-4,4,4-trifluoroacetoacetate,ethyl4,4,4-trifluoro-2-methyl-3-oxobutanoate,ethyl 3-keto-2-methyl-4,4,4-trifluorobutanoate,ethyl 4,4,4-trifluoro-2-methyl-3-oxo-butanoate |
| IUPAC Name | ethyl 4,4,4-trifluoro-2-methyl-3-oxobutanoate |
| InChI Key | YLRGPBKEZVHOAW-UHFFFAOYSA-N |
| Molecular Formula | C7H9F3O3 |
5-Bromo-2-methoxy-3-methylpyridine, 97%
CAS: 760207-87-2 Molecular Formula: C7H8BrNO Molecular Weight (g/mol): 202.051 MDL Number: MFCD07375124 InChI Key: RHYCFMXPPGZHAW-UHFFFAOYSA-N Synonym: pyridine, 5-bromo-2-methoxy-3-methyl,5-bromo-3-methyl-2-methoxypyridine,5-bromo-2-methoxy-3-methyl-pyridine,5-bromo-2-methoxy-3-picoline,pubchem22058,acmc-209p1f,ksc496k0b,abbypharma ap-10-5114 PubChem CID: 22591176 IUPAC Name: 5-bromo-2-methoxy-3-methylpyridine SMILES: CC1=CC(=CN=C1OC)Br
| PubChem CID | 22591176 |
|---|---|
| CAS | 760207-87-2 |
| Molecular Weight (g/mol) | 202.051 |
| MDL Number | MFCD07375124 |
| SMILES | CC1=CC(=CN=C1OC)Br |
| Synonym | pyridine, 5-bromo-2-methoxy-3-methyl,5-bromo-3-methyl-2-methoxypyridine,5-bromo-2-methoxy-3-methyl-pyridine,5-bromo-2-methoxy-3-picoline,pubchem22058,acmc-209p1f,ksc496k0b,abbypharma ap-10-5114 |
| IUPAC Name | 5-bromo-2-methoxy-3-methylpyridine |
| InChI Key | RHYCFMXPPGZHAW-UHFFFAOYSA-N |
| Molecular Formula | C7H8BrNO |
(R)-(+)-3-chloro-1-phenyl-1-propanol, 97%
CAS: 100306-33-0 Molecular Formula: C9H11ClO Molecular Weight (g/mol): 170.64 InChI Key: JZFUHAGLMZWKTF-SECBINFHSA-N Synonym: r-3-chloro-1-phenylpropan-1-ol,r-+-3-chloro-1-phenyl-1-propanol,r-+-3-chloro-1-phenylpropanol,1r-3-chloro-1-phenylpropan-1-ol,1r-3-chloro-1-phenyl-propan-1-ol,r-3-chloro-1-phenyl-1-propanol,r-3-chloro-1-phenyl-propan-1-ol,r-3-chloro-1-phenylpropanol,pubchem5738 PubChem CID: 642409 IUPAC Name: (1R)-3-chloro-1-phenylpropan-1-ol SMILES: C1=CC=C(C=C1)C(CCCl)O
| PubChem CID | 642409 |
|---|---|
| CAS | 100306-33-0 |
| Molecular Weight (g/mol) | 170.64 |
| SMILES | C1=CC=C(C=C1)C(CCCl)O |
| Synonym | r-3-chloro-1-phenylpropan-1-ol,r-+-3-chloro-1-phenyl-1-propanol,r-+-3-chloro-1-phenylpropanol,1r-3-chloro-1-phenylpropan-1-ol,1r-3-chloro-1-phenyl-propan-1-ol,r-3-chloro-1-phenyl-1-propanol,r-3-chloro-1-phenyl-propan-1-ol,r-3-chloro-1-phenylpropanol,pubchem5738 |
| IUPAC Name | (1R)-3-chloro-1-phenylpropan-1-ol |
| InChI Key | JZFUHAGLMZWKTF-SECBINFHSA-N |
| Molecular Formula | C9H11ClO |
Adipic semialdehyde methyl ester, 95%
CAS: 6654-36-0 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 InChI Key: FDNFXHCDOASWAY-UHFFFAOYSA-N Synonym: adipic semialdehyde methyl ester,methyl 5-formylvalerate,methyl adipaldehydate,6-oxo-hexanoic acid methyl ester,6-oxohexanoic acid methyl ester,hexanoic acid, 6-oxo-, methyl ester,5-carbomethoxy-1-pentanal,hexanoic acid,6-oxo-,methyl ester,methyl 6-oxo-hexanoate,methyl 5-formylpentanoate PubChem CID: 81164 IUPAC Name: methyl 6-oxohexanoate SMILES: COC(=O)CCCCC=O
| PubChem CID | 81164 |
|---|---|
| CAS | 6654-36-0 |
| Molecular Weight (g/mol) | 144.17 |
| SMILES | COC(=O)CCCCC=O |
| Synonym | adipic semialdehyde methyl ester,methyl 5-formylvalerate,methyl adipaldehydate,6-oxo-hexanoic acid methyl ester,6-oxohexanoic acid methyl ester,hexanoic acid, 6-oxo-, methyl ester,5-carbomethoxy-1-pentanal,hexanoic acid,6-oxo-,methyl ester,methyl 6-oxo-hexanoate,methyl 5-formylpentanoate |
| IUPAC Name | methyl 6-oxohexanoate |
| InChI Key | FDNFXHCDOASWAY-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
Ethyl 3-(4-methoxybenzoyl)propionate, 98%
CAS: 15118-67-9 Molecular Formula: C13H16O4 Molecular Weight (g/mol): 236.267 MDL Number: MFCD00051784 InChI Key: FYUAOZFEVHSJTO-UHFFFAOYSA-N Synonym: ethyl 3-4-methoxybenzoyl propionate,ethyl 4-4-methoxyphenyl-4-oxobutanoate,ethyl 4-4-methoxyphenyl-4-oxobutyrate,acmc-1ciqg,ethyl 3-4-methoxybenzoylpropionate,ethyl 3-4-methoxybenzoyl propanoate,ethyl 3-4-methoxybenzoyl-propionate,ethyl 4-4-methoxyphenyl-4-oxobutanoate #,gamma-oxo-4-methoxybenzenebutyric acid ethyl ester,4-4-methoxyphenyl-4-oxobutyric acid, ethyl ester PubChem CID: 585132 IUPAC Name: ethyl 4-(4-methoxyphenyl)-4-oxobutanoate SMILES: CCOC(=O)CCC(=O)C1=CC=C(C=C1)OC
| PubChem CID | 585132 |
|---|---|
| CAS | 15118-67-9 |
| Molecular Weight (g/mol) | 236.267 |
| MDL Number | MFCD00051784 |
| SMILES | CCOC(=O)CCC(=O)C1=CC=C(C=C1)OC |
| Synonym | ethyl 3-4-methoxybenzoyl propionate,ethyl 4-4-methoxyphenyl-4-oxobutanoate,ethyl 4-4-methoxyphenyl-4-oxobutyrate,acmc-1ciqg,ethyl 3-4-methoxybenzoylpropionate,ethyl 3-4-methoxybenzoyl propanoate,ethyl 3-4-methoxybenzoyl-propionate,ethyl 4-4-methoxyphenyl-4-oxobutanoate #,gamma-oxo-4-methoxybenzenebutyric acid ethyl ester,4-4-methoxyphenyl-4-oxobutyric acid, ethyl ester |
| IUPAC Name | ethyl 4-(4-methoxyphenyl)-4-oxobutanoate |
| InChI Key | FYUAOZFEVHSJTO-UHFFFAOYSA-N |
| Molecular Formula | C13H16O4 |