Organooxygen compounds
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4-Bromo-1-methyl-1H-pyrazole-3-carboxaldehyde, 97%, Thermo Scientific Chemicals
CAS: 287917-96-8 Molecular Formula: C5H5BrN2O Molecular Weight (g/mol): 189.01 InChI Key: KGIYMMPLYIITLL-UHFFFAOYSA-N Synonym: 4-bromo-1-methyl-1h-pyrazole-3-carbaldehyde,4-bromo-3-formyl-1-methyl-1h-pyrazole,4-bromo-1-methylpyrazole-3-carboxaldehyde,4-bromo-1-methyl-1h-pyrazole-3-carboxaldehyde,1h-pyrazole-3-carboxaldehyde, 4-bromo-1-methyl,pubchem23668,acmc-209h4p,buttpark 88\08-06,4-bromo-3-formyl-1-methylpyrazole,1h-pyrazole-3-carboxaldehyde,4-bromo-1-methyl PubChem CID: 2735595 IUPAC Name: 4-bromo-1-methylpyrazole-3-carbaldehyde SMILES: CN1C=C(C(=N1)C=O)Br
| PubChem CID | 2735595 |
|---|---|
| CAS | 287917-96-8 |
| Molecular Weight (g/mol) | 189.01 |
| SMILES | CN1C=C(C(=N1)C=O)Br |
| Synonym | 4-bromo-1-methyl-1h-pyrazole-3-carbaldehyde,4-bromo-3-formyl-1-methyl-1h-pyrazole,4-bromo-1-methylpyrazole-3-carboxaldehyde,4-bromo-1-methyl-1h-pyrazole-3-carboxaldehyde,1h-pyrazole-3-carboxaldehyde, 4-bromo-1-methyl,pubchem23668,acmc-209h4p,buttpark 88\08-06,4-bromo-3-formyl-1-methylpyrazole,1h-pyrazole-3-carboxaldehyde,4-bromo-1-methyl |
| IUPAC Name | 4-bromo-1-methylpyrazole-3-carbaldehyde |
| InChI Key | KGIYMMPLYIITLL-UHFFFAOYSA-N |
| Molecular Formula | C5H5BrN2O |
4,4,5,5,5-Pentafluoropentan-1-ol, 95%
CAS: 148043-73-6 Molecular Formula: C5H7F5O Molecular Weight (g/mol): 178.1 InChI Key: QROUUECTKRZFHF-UHFFFAOYSA-N Synonym: 4,4,5,5,5-pentafluoro-1-pentanol,4,4,5,5,5-pentafluoropentanol,pentafluoropentanol,1-pentanol, 4,4,5,5,5-pentafluoro,fulvestrant intermediate,acmc-1bz8x,3-perfluoroethyl propan-1-ol,4,4,5,5,5-pentafluoro pentanol,4,4,5,5,5-pentafluoro-pentanol,4,4,5,5,5-pentafluorpentan-1-ol PubChem CID: 547967 IUPAC Name: 4,4,5,5,5-pentafluoropentan-1-ol SMILES: C(CC(C(F)(F)F)(F)F)CO
| PubChem CID | 547967 |
|---|---|
| CAS | 148043-73-6 |
| Molecular Weight (g/mol) | 178.1 |
| SMILES | C(CC(C(F)(F)F)(F)F)CO |
| Synonym | 4,4,5,5,5-pentafluoro-1-pentanol,4,4,5,5,5-pentafluoropentanol,pentafluoropentanol,1-pentanol, 4,4,5,5,5-pentafluoro,fulvestrant intermediate,acmc-1bz8x,3-perfluoroethyl propan-1-ol,4,4,5,5,5-pentafluoro pentanol,4,4,5,5,5-pentafluoro-pentanol,4,4,5,5,5-pentafluorpentan-1-ol |
| IUPAC Name | 4,4,5,5,5-pentafluoropentan-1-ol |
| InChI Key | QROUUECTKRZFHF-UHFFFAOYSA-N |
| Molecular Formula | C5H7F5O |
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 |
4-Methoxy-3-pyridineboronic acid hydrate, 97%
CAS: 1266615-79-5 Molecular Formula: C6H8BNO3 Molecular Weight (g/mol): 152.94 MDL Number: MFCD07186213 InChI Key: YUTPAZKVEOJQCY-UHFFFAOYSA-N Synonym: 4-methoxy-3-pyridineboronic acid,4-methoxypyridin-3-yl boronic acid,4-methoxypyridine-3-boronic acid,3-borono-4-methoxypyridine,4-methoxy-3-pyridylboronic acid,boronic acid, 4-methoxy-3-pyridinyl,4-methoxy-pyridine-3-boric acid,acmc-209iha,4-methoxy-5-pyridineboronic acid,4-methoxy-pyridin-3-boronic acid PubChem CID: 2762556 IUPAC Name: (4-methoxypyridin-3-yl)boronic acid SMILES: COC1=CC=NC=C1B(O)O
| PubChem CID | 2762556 |
|---|---|
| CAS | 1266615-79-5 |
| Molecular Weight (g/mol) | 152.94 |
| MDL Number | MFCD07186213 |
| SMILES | COC1=CC=NC=C1B(O)O |
| Synonym | 4-methoxy-3-pyridineboronic acid,4-methoxypyridin-3-yl boronic acid,4-methoxypyridine-3-boronic acid,3-borono-4-methoxypyridine,4-methoxy-3-pyridylboronic acid,boronic acid, 4-methoxy-3-pyridinyl,4-methoxy-pyridine-3-boric acid,acmc-209iha,4-methoxy-5-pyridineboronic acid,4-methoxy-pyridin-3-boronic acid |
| IUPAC Name | (4-methoxypyridin-3-yl)boronic acid |
| InChI Key | YUTPAZKVEOJQCY-UHFFFAOYSA-N |
| Molecular Formula | C6H8BNO3 |
Di-tert-butyl malonate, 98%
CAS: 541-16-2 MDL Number: MFCD00008810 InChI Key: CLPHAYNBNTVRDI-UHFFFAOYSA-N Synonym: di-tert-butyl malonate,malonic acid di-tert-butyl ester,propanedioic acid, bis 1,1-dimethylethyl ester,di-t-butylmalonate,di-t-butyl malonate,unii-7e9xwt9380,1,3-di-tert-butyl propanedioate,di tert-butyl malonate,tert-butyl 2-tert-butoxycarbonyl acetate,di-tert-butyl malonate, stab. with potassium carbonate PubChem CID: 68324 IUPAC Name: ditert-butyl propanedioate SMILES: CC(C)(C)OC(=O)CC(=O)OC(C)(C)C
| PubChem CID | 68324 |
|---|---|
| CAS | 541-16-2 |
| MDL Number | MFCD00008810 |
| SMILES | CC(C)(C)OC(=O)CC(=O)OC(C)(C)C |
| Synonym | di-tert-butyl malonate,malonic acid di-tert-butyl ester,propanedioic acid, bis 1,1-dimethylethyl ester,di-t-butylmalonate,di-t-butyl malonate,unii-7e9xwt9380,1,3-di-tert-butyl propanedioate,di tert-butyl malonate,tert-butyl 2-tert-butoxycarbonyl acetate,di-tert-butyl malonate, stab. with potassium carbonate |
| IUPAC Name | ditert-butyl propanedioate |
| InChI Key | CLPHAYNBNTVRDI-UHFFFAOYSA-N |
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 |
(R)-2-(1-Hydroxyethyl)pyridine, 98%, Thermo Scientific Chemicals
CAS: 27911-63-3 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.15 MDL Number: MFCD04972322 InChI Key: PPHIIIRFJKDTLG-ZCFIWIBFSA-N Synonym: r-1-pyridin-2-yl ethanol,r-2-1-hydroxyethyl pyridine,r-1-2-pyridyl ethanol,1r-1-pyridin-2-yl ethan-1-ol,r-alpha-methyl-2-pyridinemethanol,1r-1-pyridin-2-ylethanol,1r-1-pyridin-2-yl ethanol,pubchem5699,r-1-pyridin-2-yl-ethanol,1r-1-2-pyridyl ethanol PubChem CID: 642847 IUPAC Name: (1R)-1-pyridin-2-ylethanol SMILES: CC(C1=CC=CC=N1)O
| PubChem CID | 642847 |
|---|---|
| CAS | 27911-63-3 |
| Molecular Weight (g/mol) | 123.15 |
| MDL Number | MFCD04972322 |
| SMILES | CC(C1=CC=CC=N1)O |
| Synonym | r-1-pyridin-2-yl ethanol,r-2-1-hydroxyethyl pyridine,r-1-2-pyridyl ethanol,1r-1-pyridin-2-yl ethan-1-ol,r-alpha-methyl-2-pyridinemethanol,1r-1-pyridin-2-ylethanol,1r-1-pyridin-2-yl ethanol,pubchem5699,r-1-pyridin-2-yl-ethanol,1r-1-2-pyridyl ethanol |
| IUPAC Name | (1R)-1-pyridin-2-ylethanol |
| InChI Key | PPHIIIRFJKDTLG-ZCFIWIBFSA-N |
| Molecular Formula | C7H9NO |
1,1,1-Trifluoro-5-methyl-2,4-hexanedione, 97%, Thermo Scientific™
CAS: 30984-28-2 Molecular Formula: C7H9F3O2 Molecular Weight (g/mol): 182.14 MDL Number: MFCD00045106 InChI Key: QDJWKASBKAMIDF-ZZXKWVIFSA-N Synonym: 1,1,1-trifluoro-5-methyl-2,4-hexanedione,trifluoroacetyl isobutyrylmethane,2,4-hexanedione, 1,1,1-trifluoro-5-methyl,5-methyl-1,1,1-trifluoro-2,4-hexanedione,2,4-hexanedione,1,1,1-trifluoro-5-methyl,tos-bb-0654,2,4-dioxo-5-methyl-1,1,1-trifluorohexane,5-methyl-1,1,1-trifluorohexane-2,4-dione PubChem CID: 160191 IUPAC Name: 1,1,1-trifluoro-5-methylhexane-2,4-dione SMILES: CC(C)C(=O)\C=C(\O)C(F)(F)F
| PubChem CID | 160191 |
|---|---|
| CAS | 30984-28-2 |
| Molecular Weight (g/mol) | 182.14 |
| MDL Number | MFCD00045106 |
| SMILES | CC(C)C(=O)\C=C(\O)C(F)(F)F |
| Synonym | 1,1,1-trifluoro-5-methyl-2,4-hexanedione,trifluoroacetyl isobutyrylmethane,2,4-hexanedione, 1,1,1-trifluoro-5-methyl,5-methyl-1,1,1-trifluoro-2,4-hexanedione,2,4-hexanedione,1,1,1-trifluoro-5-methyl,tos-bb-0654,2,4-dioxo-5-methyl-1,1,1-trifluorohexane,5-methyl-1,1,1-trifluorohexane-2,4-dione |
| IUPAC Name | 1,1,1-trifluoro-5-methylhexane-2,4-dione |
| InChI Key | QDJWKASBKAMIDF-ZZXKWVIFSA-N |
| Molecular Formula | C7H9F3O2 |
2',6'-Dichloroacetophenone, 97%, Thermo Scientific Chemicals
CAS: 2040-05-3 Molecular Formula: C8H6Cl2O Molecular Weight (g/mol): 189.04 MDL Number: MFCD00016339 InChI Key: HYBDSXBLGCQKRE-UHFFFAOYSA-N Synonym: 2',6'-dichloroacetophenone,1-2,6-dichlorophenyl ethanone,2,6-dichloroacetophenone,1-2,6-dichlorophenyl ethan-1-one,ethanone, 1-2,6-dichlorophenyl,2,6-dichloro acetophenone,1-acetyl-2,6-dichlorobenzene,zlchem 1084,pubchem12362,acmc-1cobf PubChem CID: 74877 IUPAC Name: 1-(2,6-dichlorophenyl)ethanone SMILES: CC(=O)C1=C(C=CC=C1Cl)Cl
| PubChem CID | 74877 |
|---|---|
| CAS | 2040-05-3 |
| Molecular Weight (g/mol) | 189.04 |
| MDL Number | MFCD00016339 |
| SMILES | CC(=O)C1=C(C=CC=C1Cl)Cl |
| Synonym | 2',6'-dichloroacetophenone,1-2,6-dichlorophenyl ethanone,2,6-dichloroacetophenone,1-2,6-dichlorophenyl ethan-1-one,ethanone, 1-2,6-dichlorophenyl,2,6-dichloro acetophenone,1-acetyl-2,6-dichlorobenzene,zlchem 1084,pubchem12362,acmc-1cobf |
| IUPAC Name | 1-(2,6-dichlorophenyl)ethanone |
| InChI Key | HYBDSXBLGCQKRE-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O |
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 |
1-Propanol, specified according to the requirements of Ph.Eur.
CAS: 71-23-8 Molecular Formula: C3H8O Molecular Weight (g/mol): 60.10 MDL Number: MFCD00002941 InChI Key: BDERNNFJNOPAEC-UHFFFAOYSA-N Synonym: 1-propanol,propanol,propyl alcohol,n-propanol,n-propyl alcohol,ethylcarbinol,1-hydroxypropane,optal,osmosol extra,propylic alcohol PubChem CID: 1031 ChEBI: CHEBI:28831 IUPAC Name: propan-1-ol SMILES: CCCO
| PubChem CID | 1031 |
|---|---|
| CAS | 71-23-8 |
| Molecular Weight (g/mol) | 60.10 |
| ChEBI | CHEBI:28831 |
| MDL Number | MFCD00002941 |
| SMILES | CCCO |
| Synonym | 1-propanol,propanol,propyl alcohol,n-propanol,n-propyl alcohol,ethylcarbinol,1-hydroxypropane,optal,osmosol extra,propylic alcohol |
| IUPAC Name | propan-1-ol |
| InChI Key | BDERNNFJNOPAEC-UHFFFAOYSA-N |
| Molecular Formula | C3H8O |
2-Amino-4'-bromoacetophenone hydrochloride, 97%, Thermo Scientific™
CAS: 5467-72-1 Molecular Formula: C8H8BrNO·ClH 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 |
|---|---|
| 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 | C8H8BrNO·ClH |
2-Methoxypyridine-3-boronic acid, 97%
CAS: 163105-90-6 Molecular Formula: C6H8BNO3 Molecular Weight (g/mol): 152.94 MDL Number: MFCD03411572 InChI Key: NVOLYUXUHWBCRJ-UHFFFAOYSA-N Synonym: 2-methoxypyridine-3-boronic acid,2-methoxy-3-pyridineboronic acid,2-methoxypyridin-3-yl boronic acid,2-methoxy-3-pyridylboronic acid,2-methoxypyridin-3-yl-3-boronic acid,2-methoxy-3-pyridinyl boronic acid,2-methoxy-3-pyridyl boronic acid,2-methoxy-3-pyridinyl-boronic acid,boronic acid, 2-methoxy-3-pyridinyl,boronic acid, b-2-methoxy-3-pyridinyl PubChem CID: 2762709 IUPAC Name: (2-methoxypyridin-3-yl)boronic acid SMILES: COC1=NC=CC=C1B(O)O
| PubChem CID | 2762709 |
|---|---|
| CAS | 163105-90-6 |
| Molecular Weight (g/mol) | 152.94 |
| MDL Number | MFCD03411572 |
| SMILES | COC1=NC=CC=C1B(O)O |
| Synonym | 2-methoxypyridine-3-boronic acid,2-methoxy-3-pyridineboronic acid,2-methoxypyridin-3-yl boronic acid,2-methoxy-3-pyridylboronic acid,2-methoxypyridin-3-yl-3-boronic acid,2-methoxy-3-pyridinyl boronic acid,2-methoxy-3-pyridyl boronic acid,2-methoxy-3-pyridinyl-boronic acid,boronic acid, 2-methoxy-3-pyridinyl,boronic acid, b-2-methoxy-3-pyridinyl |
| IUPAC Name | (2-methoxypyridin-3-yl)boronic acid |
| InChI Key | NVOLYUXUHWBCRJ-UHFFFAOYSA-N |
| Molecular Formula | C6H8BNO3 |
1-Propanol, for spectroscopy ACS
CAS: 71-23-8 Molecular Formula: C3H8O Molecular Weight (g/mol): 60.10 MDL Number: MFCD00002941 InChI Key: BDERNNFJNOPAEC-UHFFFAOYSA-N Synonym: 1-propanol,propanol,propyl alcohol,n-propanol,n-propyl alcohol,ethylcarbinol,1-hydroxypropane,optal,osmosol extra,propylic alcohol PubChem CID: 1031 ChEBI: CHEBI:28831 IUPAC Name: propan-1-ol SMILES: CCCO
| PubChem CID | 1031 |
|---|---|
| CAS | 71-23-8 |
| Molecular Weight (g/mol) | 60.10 |
| ChEBI | CHEBI:28831 |
| MDL Number | MFCD00002941 |
| SMILES | CCCO |
| Synonym | 1-propanol,propanol,propyl alcohol,n-propanol,n-propyl alcohol,ethylcarbinol,1-hydroxypropane,optal,osmosol extra,propylic alcohol |
| IUPAC Name | propan-1-ol |
| InChI Key | BDERNNFJNOPAEC-UHFFFAOYSA-N |
| Molecular Formula | C3H8O |
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 |