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Organooxygen compounds

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1,501 – 1,515 of 11,632 results
1,501

4-Fluoro-1-indanone, 97%

CAS: 699-99-0 Molecular Formula: C9H7FO Molecular Weight (g/mol): 150.152 MDL Number: MFCD00797829 InChI Key: HOMSJDBZHCPYHY-UHFFFAOYSA-N Synonym: 4-fluoro-1-indanone,4-fluoro-2,3-dihydro-1h-inden-1-one,4-fluoro-indan-1-one,4-fluoroindan-1-one,1h-inden-1-one, 4-fluoro-2,3-dihydro,4-fluoro-2,3-dihydro-1-indenone,4-fluoroindane-1-one,acmc-20a8cy,4-fluoranyl-2,3-dihydroinden-1-one PubChem CID: 12174986 IUPAC Name: 4-fluoro-2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=C1C(=CC=C2)F

PubChem CID 12174986
CAS 699-99-0
Molecular Weight (g/mol) 150.152
MDL Number MFCD00797829
SMILES C1CC(=O)C2=C1C(=CC=C2)F
Synonym 4-fluoro-1-indanone,4-fluoro-2,3-dihydro-1h-inden-1-one,4-fluoro-indan-1-one,4-fluoroindan-1-one,1h-inden-1-one, 4-fluoro-2,3-dihydro,4-fluoro-2,3-dihydro-1-indenone,4-fluoroindane-1-one,acmc-20a8cy,4-fluoranyl-2,3-dihydroinden-1-one
IUPAC Name 4-fluoro-2,3-dihydroinden-1-one
InChI Key HOMSJDBZHCPYHY-UHFFFAOYSA-N
Molecular Formula C9H7FO
1,502

2,3-Dihydrobenzo[b]furan-5-carboxaldehyde, 97%

CAS: 55745-70-5 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 MDL Number: MFCD00068058 InChI Key: WEBVDBDZSOJGPB-UHFFFAOYSA-N Synonym: 2,3-dihydrobenzofuran-5-carboxaldehyde,2,3-dihydrobenzo b furan-5-carbaldehyde,2,3-dihydrobenzofuran-5-carbaldehyde,2,3-dihydrobenzo b furan-5-carboxaldehyde,2,3-dihyro-1-benzofuran-5-carbaldehyde,2,3-dihydro-benzofuran-5-carbaldehyde,5-coumarancarboxaldehyde,2,3-dihydro-5-benzofurancarboxaldehyde,5-benzofurancarboxaldehyde, 2,3-dihydro,2,3-dihydro-5-benzofurancarbaldehyde PubChem CID: 735901 IUPAC Name: 2,3-dihydro-1-benzofuran-5-carbaldehyde SMILES: O=CC1=CC=C2OCCC2=C1

PubChem CID 735901
CAS 55745-70-5
Molecular Weight (g/mol) 148.16
MDL Number MFCD00068058
SMILES O=CC1=CC=C2OCCC2=C1
Synonym 2,3-dihydrobenzofuran-5-carboxaldehyde,2,3-dihydrobenzo b furan-5-carbaldehyde,2,3-dihydrobenzofuran-5-carbaldehyde,2,3-dihydrobenzo b furan-5-carboxaldehyde,2,3-dihyro-1-benzofuran-5-carbaldehyde,2,3-dihydro-benzofuran-5-carbaldehyde,5-coumarancarboxaldehyde,2,3-dihydro-5-benzofurancarboxaldehyde,5-benzofurancarboxaldehyde, 2,3-dihydro,2,3-dihydro-5-benzofurancarbaldehyde
IUPAC Name 2,3-dihydro-1-benzofuran-5-carbaldehyde
InChI Key WEBVDBDZSOJGPB-UHFFFAOYSA-N
Molecular Formula C9H8O2
1,503

2-Methyl-2-propen-1-ol, 98%

CAS: 513-42-8 Molecular Formula: C4H8O MDL Number: MFCD00004737 InChI Key: BYDRTKVGBRTTIT-UHFFFAOYSA-N PubChem CID: 10557 IUPAC Name: 2-methylprop-2-en-1-ol SMILES: CC(=C)CO

PubChem CID 10557
CAS 513-42-8
MDL Number MFCD00004737
SMILES CC(=C)CO
IUPAC Name 2-methylprop-2-en-1-ol
InChI Key BYDRTKVGBRTTIT-UHFFFAOYSA-N
Molecular Formula C4H8O
1,504

4,5-Diazafluoren-9-one, 98%

CAS: 50890-67-0 Molecular Formula: C11H6N2O Molecular Weight (g/mol): 182.182 MDL Number: MFCD00046892 InChI Key: PFMTUGNLBQSHQC-UHFFFAOYSA-N Synonym: 4,5-diazafluoren-9-one,5h-cyclopenta 1,2-b:5,4-b' dipyridin-5-one,5h-cyclopenta 2,1-b:3,4-b' dipyridin-5-one,5h-pyrido 3',2':4,5 cyclopenta 1,2-b pyridin-5-one,pyridino 3',2'-1,2 cyclopenta 3,4-b pyridin-5-one,dafone,dafo,4,5-diazafluorenone-0,4,5-diaza-9h-fluoren-9-one PubChem CID: 342157 SMILES: C1=CC2=C(C3=C(C2=O)C=CC=N3)N=C1

PubChem CID 342157
CAS 50890-67-0
Molecular Weight (g/mol) 182.182
MDL Number MFCD00046892
SMILES C1=CC2=C(C3=C(C2=O)C=CC=N3)N=C1
Synonym 4,5-diazafluoren-9-one,5h-cyclopenta 1,2-b:5,4-b' dipyridin-5-one,5h-cyclopenta 2,1-b:3,4-b' dipyridin-5-one,5h-pyrido 3',2':4,5 cyclopenta 1,2-b pyridin-5-one,pyridino 3',2'-1,2 cyclopenta 3,4-b pyridin-5-one,dafone,dafo,4,5-diazafluorenone-0,4,5-diaza-9h-fluoren-9-one
InChI Key PFMTUGNLBQSHQC-UHFFFAOYSA-N
Molecular Formula C11H6N2O
1,505

4-Bromo-1-indanone, 97%

CAS: 15115-60-3 Molecular Formula: C9H7BrO Molecular Weight (g/mol): 211.06 MDL Number: MFCD01719772 InChI Key: UVVYFYLSZIMKMC-UHFFFAOYSA-N Synonym: 4-bromo-1-indanone,4-bromo-indan-1-one,4-bromoindan-1-one,4-bromo-2,3-dihydro-1h-inden-1-one,1-indanone, 4-bromo,4-bromohydrindone-1,1h-inden-1-one, 4-bromo-2,3-dihydro,4-bromoindanone,4-bromo indanone,4-bromo-indanone PubChem CID: 98713 IUPAC Name: 4-bromo-2,3-dihydroinden-1-one SMILES: BrC1=CC=CC2=C1CCC2=O

PubChem CID 98713
CAS 15115-60-3
Molecular Weight (g/mol) 211.06
MDL Number MFCD01719772
SMILES BrC1=CC=CC2=C1CCC2=O
Synonym 4-bromo-1-indanone,4-bromo-indan-1-one,4-bromoindan-1-one,4-bromo-2,3-dihydro-1h-inden-1-one,1-indanone, 4-bromo,4-bromohydrindone-1,1h-inden-1-one, 4-bromo-2,3-dihydro,4-bromoindanone,4-bromo indanone,4-bromo-indanone
IUPAC Name 4-bromo-2,3-dihydroinden-1-one
InChI Key UVVYFYLSZIMKMC-UHFFFAOYSA-N
Molecular Formula C9H7BrO
1,506

Dexamethasone 21-phosphate disodium salt, 98%

CAS: 2392-39-4 Molecular Formula: C22H28FNa2O8P Molecular Weight (g/mol): 516.41 MDL Number: MFCD00079105 InChI Key: PLCQGRYPOISRTQ-FCJDYXGNSA-L Synonym: dexamethasone sodium phosphate,dexamethasone 21-phosphate disodium salt,dalalone,dexadreson,dexagro,megacort,soldesam,spersadox,decdan,solu-decadron PubChem CID: 16961 ChEBI: CHEBI:4462 IUPAC Name: disodium;[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]

PubChem CID 16961
CAS 2392-39-4
Molecular Weight (g/mol) 516.41
ChEBI CHEBI:4462
MDL Number MFCD00079105
SMILES CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]
Synonym dexamethasone sodium phosphate,dexamethasone 21-phosphate disodium salt,dalalone,dexadreson,dexagro,megacort,soldesam,spersadox,decdan,solu-decadron
IUPAC Name disodium;[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate
InChI Key PLCQGRYPOISRTQ-FCJDYXGNSA-L
Molecular Formula C22H28FNa2O8P
1,507

Pifithrin-alpha, p-Nitro hydrobromide, Thermo Scientific Chemicals

CAS: 389850-21-9 Molecular Formula: C15H16BrN3O3S Molecular Weight (g/mol): 398.275 MDL Number: MFCD00398180 InChI Key: NXPCMOGORSWOLH-UHFFFAOYSA-N Synonym: pifithrin-alpha, p-nitro,1-4-nitrophenyl-2-4,5,6,7-tetrahydro-2-imino-3 2h-benzothiazolyl ethanone, hbr,pifithrin-alpha, p-nitro hydrobromide,2-2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl-1-4-nitrophenyl ethanone hydrobromide,2-2-imino-4,5,6,7-tetrahydrobenzo d thiazol-3 2h-yl-1-4-nitrophenyl ethanone hbr,2-2-imino-4,5,6,7-tetrahydrobenzo d thiazol-3 2h-yl-1-4-nitrophenyl ethanone hydrobromide PubChem CID: 11553038 IUPAC Name: 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-nitrophenyl)ethanone;hydrobromide SMILES: C1CCC2=C(C1)N(C(=N)S2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].Br

PubChem CID 11553038
CAS 389850-21-9
Molecular Weight (g/mol) 398.275
MDL Number MFCD00398180
SMILES C1CCC2=C(C1)N(C(=N)S2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].Br
Synonym pifithrin-alpha, p-nitro,1-4-nitrophenyl-2-4,5,6,7-tetrahydro-2-imino-3 2h-benzothiazolyl ethanone, hbr,pifithrin-alpha, p-nitro hydrobromide,2-2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl-1-4-nitrophenyl ethanone hydrobromide,2-2-imino-4,5,6,7-tetrahydrobenzo d thiazol-3 2h-yl-1-4-nitrophenyl ethanone hbr,2-2-imino-4,5,6,7-tetrahydrobenzo d thiazol-3 2h-yl-1-4-nitrophenyl ethanone hydrobromide
IUPAC Name 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-nitrophenyl)ethanone;hydrobromide
InChI Key NXPCMOGORSWOLH-UHFFFAOYSA-N
Molecular Formula C15H16BrN3O3S
1,508

1-Phenyl-1H-pyrazole-4-carboxaldehyde, 98%

CAS: 54605-72-0 Molecular Formula: C10H8N2O Molecular Weight (g/mol): 172.19 MDL Number: MFCD02179568 InChI Key: PHVRLPFVPVKYOI-UHFFFAOYSA-N Synonym: 1-phenyl-1h-pyrazole-4-carbaldehyde,1-phenyl-1h-pyrazole-4-carboxaldehyde,1-phenylpyrazole-4-carboxaldehyde,pubchem13271,acmc-1awxu,phenyl-1h-pyrazole-4-carbaldehyde,1h-pyrazole-4-carboxaldehyde,1-phenyl PubChem CID: 952089 IUPAC Name: 1-phenylpyrazole-4-carbaldehyde SMILES: O=CC1=CN(N=C1)C1=CC=CC=C1

PubChem CID 952089
CAS 54605-72-0
Molecular Weight (g/mol) 172.19
MDL Number MFCD02179568
SMILES O=CC1=CN(N=C1)C1=CC=CC=C1
Synonym 1-phenyl-1h-pyrazole-4-carbaldehyde,1-phenyl-1h-pyrazole-4-carboxaldehyde,1-phenylpyrazole-4-carboxaldehyde,pubchem13271,acmc-1awxu,phenyl-1h-pyrazole-4-carbaldehyde,1h-pyrazole-4-carboxaldehyde,1-phenyl
IUPAC Name 1-phenylpyrazole-4-carbaldehyde
InChI Key PHVRLPFVPVKYOI-UHFFFAOYSA-N
Molecular Formula C10H8N2O
1,509

2-(2-Nitro-4-trifluoromethylbenzoyl)-1,3-cyclohexanedione, 95%

CAS: 104206-65-7 Molecular Formula: C14H10F3NO5 Molecular Weight (g/mol): 329.231 MDL Number: MFCD01752192 InChI Key: OUBCNLGXQFSTLU-UHFFFAOYSA-N Synonym: nitisinone,orfadin,nitisone,ntbc,2-2-nitro-4-trifluoromethyl benzoyl cyclohexane-1,3-dione,2-2-nitro-4-trifluoromethylbenzoyl-1,3-cyclohexanedione,nitisinone usan:inn,nitisinone inn,nitisinona PubChem CID: 115355 ChEBI: CHEBI:50378 IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione SMILES: C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

PubChem CID 115355
CAS 104206-65-7
Molecular Weight (g/mol) 329.231
ChEBI CHEBI:50378
MDL Number MFCD01752192
SMILES C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
Synonym nitisinone,orfadin,nitisone,ntbc,2-2-nitro-4-trifluoromethyl benzoyl cyclohexane-1,3-dione,2-2-nitro-4-trifluoromethylbenzoyl-1,3-cyclohexanedione,nitisinone usan:inn,nitisinone inn,nitisinona
IUPAC Name 2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione
InChI Key OUBCNLGXQFSTLU-UHFFFAOYSA-N
Molecular Formula C14H10F3NO5
1,510

4-Bromoindole-3-carboxaldehyde, 97%, Thermo Scientific Chemicals

CAS: 98600-34-1 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.057 MDL Number: MFCD05864695 InChI Key: IPAFHZDRYAWZOB-UHFFFAOYSA-N Synonym: 4-bromoindole-3-carboxaldehyde,4-bromoindole-3-carboxyaldehyde,4-bromo-3-formylindole,4-bromo-1h-indole-3-carboxaldehyde,4-bromoindole-3-carbaldehyde,4-bromo-3-formyl-1h-indole,1h-indole-3-carboxaldehyde, 4-bromo,4-bromo-3-indolecarbaldehyde,pubchem7682,acmc-209saq PubChem CID: 2763178 IUPAC Name: 4-bromo-1H-indole-3-carbaldehyde SMILES: C1=CC2=C(C(=C1)Br)C(=CN2)C=O

PubChem CID 2763178
CAS 98600-34-1
Molecular Weight (g/mol) 224.057
MDL Number MFCD05864695
SMILES C1=CC2=C(C(=C1)Br)C(=CN2)C=O
Synonym 4-bromoindole-3-carboxaldehyde,4-bromoindole-3-carboxyaldehyde,4-bromo-3-formylindole,4-bromo-1h-indole-3-carboxaldehyde,4-bromoindole-3-carbaldehyde,4-bromo-3-formyl-1h-indole,1h-indole-3-carboxaldehyde, 4-bromo,4-bromo-3-indolecarbaldehyde,pubchem7682,acmc-209saq
IUPAC Name 4-bromo-1H-indole-3-carbaldehyde
InChI Key IPAFHZDRYAWZOB-UHFFFAOYSA-N
Molecular Formula C9H6BrNO
1,511

Methyl 4-chloroacetoacetate, 97+%

CAS: 32807-28-6 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.56 MDL Number: MFCD00000938 InChI Key: HFLMYYLFSNEOOT-UHFFFAOYSA-N Synonym: methyl 4-chloroacetoacetate,methyl 4-chloro-3-oxo-butanoate,butanoic acid, 4-chloro-3-oxo-, methyl ester,4-chloroacetoacetic acid methyl ester,methyl 4-chloro-3-oxobutyrate,methyl gamma-chloroacetoacetate,methyl-4-chloroacetoacetate,acetoacetic acid, 4-chloro-, methyl ester,4-chloroacetonacetic acid nethyl ester,pubchem11042 PubChem CID: 36240 IUPAC Name: methyl 4-chloro-3-oxobutanoate SMILES: COC(=O)CC(=O)CCl

PubChem CID 36240
CAS 32807-28-6
Molecular Weight (g/mol) 150.56
MDL Number MFCD00000938
SMILES COC(=O)CC(=O)CCl
Synonym methyl 4-chloroacetoacetate,methyl 4-chloro-3-oxo-butanoate,butanoic acid, 4-chloro-3-oxo-, methyl ester,4-chloroacetoacetic acid methyl ester,methyl 4-chloro-3-oxobutyrate,methyl gamma-chloroacetoacetate,methyl-4-chloroacetoacetate,acetoacetic acid, 4-chloro-, methyl ester,4-chloroacetonacetic acid nethyl ester,pubchem11042
IUPAC Name methyl 4-chloro-3-oxobutanoate
InChI Key HFLMYYLFSNEOOT-UHFFFAOYSA-N
Molecular Formula C5H7ClO3
1,512

3-Fluoro-2-methoxy-6-methylpyridine, 97%, Thermo Scientific Chemicals

CAS: 375368-80-2 Molecular Formula: C7H8FNO Molecular Weight (g/mol): 141.15 MDL Number: MFCD03095083 InChI Key: DAQMWRIPXIPMAA-UHFFFAOYSA-N Synonym: 3-fluoro-2-methoxy-6-picoline,2-methoxy-3-fluoro-6-methylpyridine,3-fluoro-2-methoxy-6-methyl-pyridine,pubchem6585,ksc914i9l,abbypharma ap-15-5217,pyridine, 3-fluoro-2-methoxy-6-methyl,pyridine, 3-fluoro-2-methoxy-6-methyl-9ci PubChem CID: 24820319 IUPAC Name: 3-fluoro-2-methoxy-6-methylpyridine SMILES: COC1=C(F)C=CC(C)=N1

PubChem CID 24820319
CAS 375368-80-2
Molecular Weight (g/mol) 141.15
MDL Number MFCD03095083
SMILES COC1=C(F)C=CC(C)=N1
Synonym 3-fluoro-2-methoxy-6-picoline,2-methoxy-3-fluoro-6-methylpyridine,3-fluoro-2-methoxy-6-methyl-pyridine,pubchem6585,ksc914i9l,abbypharma ap-15-5217,pyridine, 3-fluoro-2-methoxy-6-methyl,pyridine, 3-fluoro-2-methoxy-6-methyl-9ci
IUPAC Name 3-fluoro-2-methoxy-6-methylpyridine
InChI Key DAQMWRIPXIPMAA-UHFFFAOYSA-N
Molecular Formula C7H8FNO
1,513

2-Bromo-3'-chloropropiophenone, 98%

CAS: 34911-51-8 Molecular Formula: C9H8BrClO Molecular Weight (g/mol): 247.52 MDL Number: MFCD03701150 InChI Key: OFNMQTRHMBQQEA-UHFFFAOYNA-N PubChem CID: 4992116 IUPAC Name: 2-bromo-1-(3-chlorophenyl)propan-1-one SMILES: CC(Br)C(=O)C1=CC(Cl)=CC=C1

PubChem CID 4992116
CAS 34911-51-8
Molecular Weight (g/mol) 247.52
MDL Number MFCD03701150
SMILES CC(Br)C(=O)C1=CC(Cl)=CC=C1
IUPAC Name 2-bromo-1-(3-chlorophenyl)propan-1-one
InChI Key OFNMQTRHMBQQEA-UHFFFAOYNA-N
Molecular Formula C9H8BrClO
1,514

Diethyl n-propylmalonate, 99%

CAS: 2163-48-6 Molecular Formula: C10H18O4 Molecular Weight (g/mol): 202.25 MDL Number: MFCD00009168 InChI Key: GRRSDGHTSMJICM-UHFFFAOYSA-N Synonym: diethyl propylmalonate,diethyl 2-propylmalonate,1,3-diethyl 2-propylpropanedioate,diethyl n-propylmalonate,diethylpropylmalonate,propylmalonic acid diethyl ester,propanedioic acid, propyl-, diethyl ester,diethyl-n-propylmalonate,malonic acid, propyl-, diethyl ester,diethyl propyl malonate PubChem CID: 16552 IUPAC Name: diethyl 2-propylpropanedioate SMILES: CCCC(C(=O)OCC)C(=O)OCC

PubChem CID 16552
CAS 2163-48-6
Molecular Weight (g/mol) 202.25
MDL Number MFCD00009168
SMILES CCCC(C(=O)OCC)C(=O)OCC
Synonym diethyl propylmalonate,diethyl 2-propylmalonate,1,3-diethyl 2-propylpropanedioate,diethyl n-propylmalonate,diethylpropylmalonate,propylmalonic acid diethyl ester,propanedioic acid, propyl-, diethyl ester,diethyl-n-propylmalonate,malonic acid, propyl-, diethyl ester,diethyl propyl malonate
IUPAC Name diethyl 2-propylpropanedioate
InChI Key GRRSDGHTSMJICM-UHFFFAOYSA-N
Molecular Formula C10H18O4
1,515

2',4'-Dihydroxypropiophenone, 99%

CAS: 5792-36-9 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002280 InChI Key: LLBBBYLDTDJMNU-UHFFFAOYSA-N Synonym: 2',4'-dihydroxypropiophenone,1-2,4-dihydroxyphenyl propan-1-one,2,4-dihydroxypropiophenone,4-propionylresorcinol,1-propanone, 1-2,4-dihydroxyphenyl,respropiophenone,resorcinol fragment, 9,acmc-209m1c,2',4'-dihydroxy-propiophenone,2/',4/'-dihydroxypropiophenone PubChem CID: 79856 IUPAC Name: 1-(2,4-dihydroxyphenyl)propan-1-one SMILES: CCC(=O)C1=C(C=C(C=C1)O)O

PubChem CID 79856
CAS 5792-36-9
Molecular Weight (g/mol) 166.176
MDL Number MFCD00002280
SMILES CCC(=O)C1=C(C=C(C=C1)O)O
Synonym 2',4'-dihydroxypropiophenone,1-2,4-dihydroxyphenyl propan-1-one,2,4-dihydroxypropiophenone,4-propionylresorcinol,1-propanone, 1-2,4-dihydroxyphenyl,respropiophenone,resorcinol fragment, 9,acmc-209m1c,2',4'-dihydroxy-propiophenone,2/',4/'-dihydroxypropiophenone
IUPAC Name 1-(2,4-dihydroxyphenyl)propan-1-one
InChI Key LLBBBYLDTDJMNU-UHFFFAOYSA-N
Molecular Formula C9H10O3