Organooxygen compounds
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Fluoral-P (=4-Amino-3-penten-2-one) 98.0+%, TCI America™
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CAS: 1118-66-7 Molecular Formula: C5H9NO Molecular Weight (g/mol): 99.133 MDL Number: MFCD00043715 InChI Key: OSLAYKKXCYSJSF-ONEGZZNKSA-N Synonym: acetylacetonamine,fluoral-p,4-amino-3-penten-2-one,e-4-aminopent-3-en-2-one,3-penten-2-one, 4-amino,3e-4-aminopent-3-en-2-one,4-aminopent-3-en-2-one,4-amino-pent-3-en-2-one,e-4-amino-3-pentene-2-one,2-acetyl-1-amino-1-methylethylene PubChem CID: 5367854 ChEBI: CHEBI:51695 IUPAC Name: (E)-4-aminopent-3-en-2-one SMILES: CC(=CC(=O)C)N
| PubChem CID | 5367854 |
|---|---|
| CAS | 1118-66-7 |
| Molecular Weight (g/mol) | 99.133 |
| ChEBI | CHEBI:51695 |
| MDL Number | MFCD00043715 |
| SMILES | CC(=CC(=O)C)N |
| Synonym | acetylacetonamine,fluoral-p,4-amino-3-penten-2-one,e-4-aminopent-3-en-2-one,3-penten-2-one, 4-amino,3e-4-aminopent-3-en-2-one,4-aminopent-3-en-2-one,4-amino-pent-3-en-2-one,e-4-amino-3-pentene-2-one,2-acetyl-1-amino-1-methylethylene |
| IUPAC Name | (E)-4-aminopent-3-en-2-one |
| InChI Key | OSLAYKKXCYSJSF-ONEGZZNKSA-N |
| Molecular Formula | C5H9NO |
2-Chlorophenyl Cyclopentyl Ketone 98.0+%, TCI America™
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CAS: 6740-85-8 Molecular Formula: C12H13ClO Molecular Weight (g/mol): 208.685 MDL Number: MFCD00038367 InChI Key: QIJMMRNZBJHXRI-UHFFFAOYSA-N Synonym: 2-chlorophenyl cyclopentyl ketone,2-chlorophenyl cyclopentyl methanone,o-chlorophenyl cyclopentyl ketone,o-chlorobenzoylcyclopentane,2-chlorophenyl-cyclopentylketone,methanone, 2-chlorophenyl cyclopentyl,2-chlorobenzoylcyclopentane,acmc-1b5a4,0-chlorphenylcyclopentylketone,1-2-chlorobenzoyl cyclopentane PubChem CID: 81223 IUPAC Name: (2-chlorophenyl)-cyclopentylmethanone SMILES: C1CCC(C1)C(=O)C2=CC=CC=C2Cl
| PubChem CID | 81223 |
|---|---|
| CAS | 6740-85-8 |
| Molecular Weight (g/mol) | 208.685 |
| MDL Number | MFCD00038367 |
| SMILES | C1CCC(C1)C(=O)C2=CC=CC=C2Cl |
| Synonym | 2-chlorophenyl cyclopentyl ketone,2-chlorophenyl cyclopentyl methanone,o-chlorophenyl cyclopentyl ketone,o-chlorobenzoylcyclopentane,2-chlorophenyl-cyclopentylketone,methanone, 2-chlorophenyl cyclopentyl,2-chlorobenzoylcyclopentane,acmc-1b5a4,0-chlorphenylcyclopentylketone,1-2-chlorobenzoyl cyclopentane |
| IUPAC Name | (2-chlorophenyl)-cyclopentylmethanone |
| InChI Key | QIJMMRNZBJHXRI-UHFFFAOYSA-N |
| Molecular Formula | C12H13ClO |
trans-9-Octadecenol 99.0+%, TCI America™
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CAS: 506-42-3 Molecular Formula: C18H36O Molecular Weight (g/mol): 268.485 MDL Number: MFCD00063218 InChI Key: ALSTYHKOOCGGFT-MDZDMXLPSA-N Synonym: Elaidyl Alcohol PubChem CID: 5367665 IUPAC Name: (E)-octadec-9-en-1-ol SMILES: CCCCCCCCC=CCCCCCCCCO
| PubChem CID | 5367665 |
|---|---|
| CAS | 506-42-3 |
| Molecular Weight (g/mol) | 268.485 |
| MDL Number | MFCD00063218 |
| SMILES | CCCCCCCCC=CCCCCCCCCO |
| Synonym | Elaidyl Alcohol |
| IUPAC Name | (E)-octadec-9-en-1-ol |
| InChI Key | ALSTYHKOOCGGFT-MDZDMXLPSA-N |
| Molecular Formula | C18H36O |
3-Acetylbenzoic Acid 97.0+%, TCI America™
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CAS: 586-42-5 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00045847 InChI Key: CHZPJUSFUDUEMZ-UHFFFAOYSA-N Synonym: m-acetylbenzoic acid,benzoic acid, 3-acetyl,3-acetylbenzoicacid,3-acetophenonecarboxylic acid,acetophenone-3-carboxylic acid,3-acetyl benzoic acid,3-acetyl-benzoic acid,hypnone-m-carboxylic acid,3-1-oxoethyl benzoic acid,3-acetylbenzoic acid PubChem CID: 220324 IUPAC Name: 3-acetylbenzoic acid SMILES: CC(=O)C1=CC(=CC=C1)C(=O)O
| PubChem CID | 220324 |
|---|---|
| CAS | 586-42-5 |
| Molecular Weight (g/mol) | 164.16 |
| MDL Number | MFCD00045847 |
| SMILES | CC(=O)C1=CC(=CC=C1)C(=O)O |
| Synonym | m-acetylbenzoic acid,benzoic acid, 3-acetyl,3-acetylbenzoicacid,3-acetophenonecarboxylic acid,acetophenone-3-carboxylic acid,3-acetyl benzoic acid,3-acetyl-benzoic acid,hypnone-m-carboxylic acid,3-1-oxoethyl benzoic acid,3-acetylbenzoic acid |
| IUPAC Name | 3-acetylbenzoic acid |
| InChI Key | CHZPJUSFUDUEMZ-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
4-Chloro-2-pyridinemethanol 98.0+%, TCI America™
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CAS: 63071-10-3 Molecular Formula: C6H6ClNO Molecular Weight (g/mol): 143.57 MDL Number: MFCD07437885 InChI Key: UEAIOHHGRGSGGJ-UHFFFAOYSA-N Synonym: 4-Chloro-2-(hydroxymethyl)pyridine PubChem CID: 2763167 IUPAC Name: (4-chloropyridin-2-yl)methanol SMILES: C1=CN=C(C=C1Cl)CO
| PubChem CID | 2763167 |
|---|---|
| CAS | 63071-10-3 |
| Molecular Weight (g/mol) | 143.57 |
| MDL Number | MFCD07437885 |
| SMILES | C1=CN=C(C=C1Cl)CO |
| Synonym | 4-Chloro-2-(hydroxymethyl)pyridine |
| IUPAC Name | (4-chloropyridin-2-yl)methanol |
| InChI Key | UEAIOHHGRGSGGJ-UHFFFAOYSA-N |
| Molecular Formula | C6H6ClNO |
6-Methyl-2-pyridinecarboxaldehyde 98.0+%, TCI America™
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CAS: 1122-72-1 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.139 MDL Number: MFCD00006291 InChI Key: AHISYUZBWDSPQL-UHFFFAOYSA-N Synonym: 6-methyl-2-pyridinecarboxaldehyde,6-methylpicolinaldehyde,2-formyl-6-methylpyridine,6-methylpyridine-2-carboxaldehyde,2-pyridinecarboxaldehyde, 6-methyl,6-methylpyridine-2-aldehyde,2-formyl-6-picoline,6-methyl-2-pyridinecarbaldehyde,6-methyl-2-picolinaldehyde,6-methylpyridyl-2-aldehyde PubChem CID: 70737 IUPAC Name: 6-methylpyridine-2-carbaldehyde SMILES: CC1=CC=CC(=N1)C=O
| PubChem CID | 70737 |
|---|---|
| CAS | 1122-72-1 |
| Molecular Weight (g/mol) | 121.139 |
| MDL Number | MFCD00006291 |
| SMILES | CC1=CC=CC(=N1)C=O |
| Synonym | 6-methyl-2-pyridinecarboxaldehyde,6-methylpicolinaldehyde,2-formyl-6-methylpyridine,6-methylpyridine-2-carboxaldehyde,2-pyridinecarboxaldehyde, 6-methyl,6-methylpyridine-2-aldehyde,2-formyl-6-picoline,6-methyl-2-pyridinecarbaldehyde,6-methyl-2-picolinaldehyde,6-methylpyridyl-2-aldehyde |
| IUPAC Name | 6-methylpyridine-2-carbaldehyde |
| InChI Key | AHISYUZBWDSPQL-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO |
2-Bromo-3-methoxypyridine 98.0+%, TCI America™
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CAS: 24100-18-3 Molecular Formula: C6H6BrNO Molecular Weight (g/mol): 188.024 MDL Number: MFCD01570896 InChI Key: PDOWLYNSFYZIQX-UHFFFAOYSA-N PubChem CID: 90364 IUPAC Name: 2-bromo-3-methoxypyridine SMILES: COC1=C(N=CC=C1)Br
| PubChem CID | 90364 |
|---|---|
| CAS | 24100-18-3 |
| Molecular Weight (g/mol) | 188.024 |
| MDL Number | MFCD01570896 |
| SMILES | COC1=C(N=CC=C1)Br |
| IUPAC Name | 2-bromo-3-methoxypyridine |
| InChI Key | PDOWLYNSFYZIQX-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrNO |
Entecavir Monohydrate 98.0+%, TCI America™
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CAS: 209216-23-9 Molecular Formula: C12H17N5O4 Molecular Weight (g/mol): 295.299 MDL Number: MFCD09754448 InChI Key: YXPVEXCTPGULBZ-WQYNNSOESA-N Synonym: entecavir hydrate,entecavir monohydrate,baraclude tn,entecavir usan,entecavir hydrate jan,baraclude,9-1s,3r,4s-4-hydroxy-3-hydroxymethyl-2-methylenecyclopentyl guanine monohydrate,entecavir inn,2-amino-9-1s,3r,4s-4-hydroxy-3-hydroxymethyl-2-methylidenecyclopentyl-1,9-dihydro-6h-purin-6-one-water 1/1 PubChem CID: 16052026 ChEBI: CHEBI:59902 IUPAC Name: 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one;hydrate SMILES: C=C1C(CC(C1CO)O)N2C=NC3=C2NC(=NC3=O)N.O
| PubChem CID | 16052026 |
|---|---|
| CAS | 209216-23-9 |
| Molecular Weight (g/mol) | 295.299 |
| ChEBI | CHEBI:59902 |
| MDL Number | MFCD09754448 |
| SMILES | C=C1C(CC(C1CO)O)N2C=NC3=C2NC(=NC3=O)N.O |
| Synonym | entecavir hydrate,entecavir monohydrate,baraclude tn,entecavir usan,entecavir hydrate jan,baraclude,9-1s,3r,4s-4-hydroxy-3-hydroxymethyl-2-methylenecyclopentyl guanine monohydrate,entecavir inn,2-amino-9-1s,3r,4s-4-hydroxy-3-hydroxymethyl-2-methylidenecyclopentyl-1,9-dihydro-6h-purin-6-one-water 1/1 |
| IUPAC Name | 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one;hydrate |
| InChI Key | YXPVEXCTPGULBZ-WQYNNSOESA-N |
| Molecular Formula | C12H17N5O4 |
4-Bromo-2-furaldehyde 97.0+%, TCI America™
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CAS: 21921-76-6 Molecular Formula: C5H3BrO2 Molecular Weight (g/mol): 174.981 MDL Number: MFCD00671504 InChI Key: MRGBBKQOSUHKPF-UHFFFAOYSA-N Synonym: 4-bromo-2-furaldehyde,4-bromofurfural,4-bromo-2-formylfuran,4-bromo-2-furancarbaldehyde,2-furancarboxaldehyde, 4-bromo,4-bromo-furfural,4-bromofuraldehyde,zlchem 82,pubchem3545,acmc-209fpi PubChem CID: 2757010 IUPAC Name: 4-bromofuran-2-carbaldehyde SMILES: C1=C(OC=C1Br)C=O
| PubChem CID | 2757010 |
|---|---|
| CAS | 21921-76-6 |
| Molecular Weight (g/mol) | 174.981 |
| MDL Number | MFCD00671504 |
| SMILES | C1=C(OC=C1Br)C=O |
| Synonym | 4-bromo-2-furaldehyde,4-bromofurfural,4-bromo-2-formylfuran,4-bromo-2-furancarbaldehyde,2-furancarboxaldehyde, 4-bromo,4-bromo-furfural,4-bromofuraldehyde,zlchem 82,pubchem3545,acmc-209fpi |
| IUPAC Name | 4-bromofuran-2-carbaldehyde |
| InChI Key | MRGBBKQOSUHKPF-UHFFFAOYSA-N |
| Molecular Formula | C5H3BrO2 |
Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate 96.0+%, TCI America™
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CAS: 663-35-4 Molecular Formula: C7H7F5O3 Molecular Weight (g/mol): 234.12 MDL Number: MFCD00013569 InChI Key: MWGSZQXKIYWSFS-UHFFFAOYSA-N Synonym: ethyl pentafluoropropionylacetate,ethyl 4,4,5,5,5-pentafluoro-3-oxovalerate,ethyl pentafluoropropionyl acetate,ethyl pentafluoropropanoyl acetate,4,4,5,5,5-pentafluoro-3-oxovaleric acid ethyl,pentanoic acid, 4,4,5,5,5-pentafluoro-3-oxo-, ethyl ester,acmc-209nuz,ethyl pentafluoropropionyl ace tate PubChem CID: 522203 IUPAC Name: ethyl 4,4,5,5,5-pentafluoro-3-oxopentanoate SMILES: CCOC(=O)CC(=O)C(F)(F)C(F)(F)F
| PubChem CID | 522203 |
|---|---|
| CAS | 663-35-4 |
| Molecular Weight (g/mol) | 234.12 |
| MDL Number | MFCD00013569 |
| SMILES | CCOC(=O)CC(=O)C(F)(F)C(F)(F)F |
| Synonym | ethyl pentafluoropropionylacetate,ethyl 4,4,5,5,5-pentafluoro-3-oxovalerate,ethyl pentafluoropropionyl acetate,ethyl pentafluoropropanoyl acetate,4,4,5,5,5-pentafluoro-3-oxovaleric acid ethyl,pentanoic acid, 4,4,5,5,5-pentafluoro-3-oxo-, ethyl ester,acmc-209nuz,ethyl pentafluoropropionyl ace tate |
| IUPAC Name | ethyl 4,4,5,5,5-pentafluoro-3-oxopentanoate |
| InChI Key | MWGSZQXKIYWSFS-UHFFFAOYSA-N |
| Molecular Formula | C7H7F5O3 |
2-Benzoylpyrrole 98.0+%, TCI America™
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CAS: 7697-46-3 Molecular Formula: C11H9NO Molecular Weight (g/mol): 171.199 MDL Number: MFCD00094048 InChI Key: NFGGQMYSOLVBLF-UHFFFAOYSA-N PubChem CID: 24370 IUPAC Name: phenyl(1H-pyrrol-2-yl)methanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CN2
| PubChem CID | 24370 |
|---|---|
| CAS | 7697-46-3 |
| Molecular Weight (g/mol) | 171.199 |
| MDL Number | MFCD00094048 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=CN2 |
| IUPAC Name | phenyl(1H-pyrrol-2-yl)methanone |
| InChI Key | NFGGQMYSOLVBLF-UHFFFAOYSA-N |
| Molecular Formula | C11H9NO |
Bis(2-bromoethyl) Ether 98.0+%, TCI America™
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CAS: 5414-19-7 Molecular Formula: C4H8Br2O Molecular Weight (g/mol): 231.915 MDL Number: MFCD00039196 InChI Key: FOZVXADQAHVUSV-UHFFFAOYSA-N Synonym: bis 2-bromoethyl ether,1-bromo-2-2-bromoethoxy ethane,2-bromoethyl ether,2,2'-dibromodiethyl ether,ethane, 1,1'-oxybis 2-bromo,ether, bis 2-bromoethyl,beta,beta'-dibromodiethyl ether,2,2-dibromodiethyl ether,2-bromoethylether PubChem CID: 21521 IUPAC Name: 1-bromo-2-(2-bromoethoxy)ethane SMILES: C(CBr)OCCBr
| PubChem CID | 21521 |
|---|---|
| CAS | 5414-19-7 |
| Molecular Weight (g/mol) | 231.915 |
| MDL Number | MFCD00039196 |
| SMILES | C(CBr)OCCBr |
| Synonym | bis 2-bromoethyl ether,1-bromo-2-2-bromoethoxy ethane,2-bromoethyl ether,2,2'-dibromodiethyl ether,ethane, 1,1'-oxybis 2-bromo,ether, bis 2-bromoethyl,beta,beta'-dibromodiethyl ether,2,2-dibromodiethyl ether,2-bromoethylether |
| IUPAC Name | 1-bromo-2-(2-bromoethoxy)ethane |
| InChI Key | FOZVXADQAHVUSV-UHFFFAOYSA-N |
| Molecular Formula | C4H8Br2O |
1-Chloro-3-methoxypropane 98.0+%, TCI America™
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CAS: 36215-07-3 Molecular Formula: C4H9ClO Molecular Weight (g/mol): 108.57 MDL Number: MFCD05663419 InChI Key: BQLHMMQUVJCTAN-UHFFFAOYSA-N Synonym: 3-Chloropropyl Methyl Ether PubChem CID: 118927 IUPAC Name: 1-chloro-3-methoxypropane SMILES: COCCCCl
| PubChem CID | 118927 |
|---|---|
| CAS | 36215-07-3 |
| Molecular Weight (g/mol) | 108.57 |
| MDL Number | MFCD05663419 |
| SMILES | COCCCCl |
| Synonym | 3-Chloropropyl Methyl Ether |
| IUPAC Name | 1-chloro-3-methoxypropane |
| InChI Key | BQLHMMQUVJCTAN-UHFFFAOYSA-N |
| Molecular Formula | C4H9ClO |
5-Acetoxymethylfurfural 98.0+%, TCI America™
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CAS: 10551-58-3 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.148 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 |
|---|---|
| CAS | 10551-58-3 |
| Molecular Weight (g/mol) | 168.148 |
| 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 |
1,3-Diphenyl-2,3-epoxy-1-propanone 98.0+%, TCI America™
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CAS: 5411-12-1 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.26 MDL Number: MFCD00022336 InChI Key: UQGMJZQVDNZRKT-UHFFFAOYNA-N Synonym: 2-benzoyl-3-phenyloxirane,chalcone oxide,1,3-diphenyl-2,3-epoxy-1-propanone,chalcone epoxide,trans-chalcone oxide,phenyl 3-phenyloxiran-2-yl methanone,ccris 2214,trans-phenyl 3-phenyloxiranyl methanone,methanone, phenyl 3-phenyloxiranyl,phenyl 3-phenyl-2-oxiranyl methanone PubChem CID: 92219 IUPAC Name: phenyl-(3-phenyloxiran-2-yl)methanone SMILES: C1=CC=C(C=C1)C2C(O2)C(=O)C3=CC=CC=C3
| PubChem CID | 92219 |
|---|---|
| CAS | 5411-12-1 |
| Molecular Weight (g/mol) | 224.26 |
| MDL Number | MFCD00022336 |
| SMILES | C1=CC=C(C=C1)C2C(O2)C(=O)C3=CC=CC=C3 |
| Synonym | 2-benzoyl-3-phenyloxirane,chalcone oxide,1,3-diphenyl-2,3-epoxy-1-propanone,chalcone epoxide,trans-chalcone oxide,phenyl 3-phenyloxiran-2-yl methanone,ccris 2214,trans-phenyl 3-phenyloxiranyl methanone,methanone, phenyl 3-phenyloxiranyl,phenyl 3-phenyl-2-oxiranyl methanone |
| IUPAC Name | phenyl-(3-phenyloxiran-2-yl)methanone |
| InChI Key | UQGMJZQVDNZRKT-UHFFFAOYNA-N |
| Molecular Formula | C15H12O2 |