Carboxylic acids and derivatives
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Fumonisin B2, 96+%
CAS: 116355-84-1 Molecular Formula: C34H59NO14·3H2O Molecular Weight (g/mol): 759.9 InChI Key: UXDPXZQHTDAXOZ-FWPUDPCBSA-N Synonym: fumonisin b2,2r,2'r-1,2,3-propanetricarboxylic acid 1,1'-1s,2r-1-2s,9r,11s,12s-12-amino-4,9,11-trihydroxy-2-methyltridecyl-2-1r-1-methylpentyl-1,2-ethanediyl ester,2s-2-2-5r,6r,7s,9s,16r,18s,19s-19-amino-6-3r-3,4-dicarboxybutanoyl oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl oxy-2-oxoethyl butanedioic acid PubChem CID: 71317007 IUPAC Name: (2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid SMILES: CCCCC(C)C(C(CC(C)CCCCCCC(CC(C(C)N)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O
| PubChem CID | 71317007 |
|---|---|
| CAS | 116355-84-1 |
| Molecular Weight (g/mol) | 759.9 |
| SMILES | CCCCC(C)C(C(CC(C)CCCCCCC(CC(C(C)N)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O |
| Synonym | fumonisin b2,2r,2'r-1,2,3-propanetricarboxylic acid 1,1'-1s,2r-1-2s,9r,11s,12s-12-amino-4,9,11-trihydroxy-2-methyltridecyl-2-1r-1-methylpentyl-1,2-ethanediyl ester,2s-2-2-5r,6r,7s,9s,16r,18s,19s-19-amino-6-3r-3,4-dicarboxybutanoyl oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl oxy-2-oxoethyl butanedioic acid |
| IUPAC Name | (2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid |
| InChI Key | UXDPXZQHTDAXOZ-FWPUDPCBSA-N |
| Molecular Formula | C34H59NO14·3H2O |
Fumonisin B1, 96%
CAS: 116355-83-0 Molecular Formula: C34H59NO15 Molecular Weight (g/mol): 721.8 MDL Number: MFCD00133349 InChI Key: UVBUBMSSQKOIBE-UWCNXKJPSA-N Synonym: macrofusine,fumonisin b1,2r,2'r-1,2,3-propanetricarboxylic acid 1,1'-1s,2r-1-2s,4r,9r,11s,12s-12-amino-4,9,11-trihydroxy-2-methyltridecyl-2-1r-1-methylpentyl-1,2-ethanediyl ester,2s-2-2-5r,6r,7s,9s,11r,16r,18s,19s-19-amino-6-3r-3,4-dicarboxybutanoyl oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl oxy-2-oxoethyl butanedioic acid PubChem CID: 16760030 IUPAC Name: (2S)-2-[2-[(5R,6R,7S,9S,11R,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid SMILES: CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O
| PubChem CID | 16760030 |
|---|---|
| CAS | 116355-83-0 |
| Molecular Weight (g/mol) | 721.8 |
| MDL Number | MFCD00133349 |
| SMILES | CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O |
| Synonym | macrofusine,fumonisin b1,2r,2'r-1,2,3-propanetricarboxylic acid 1,1'-1s,2r-1-2s,4r,9r,11s,12s-12-amino-4,9,11-trihydroxy-2-methyltridecyl-2-1r-1-methylpentyl-1,2-ethanediyl ester,2s-2-2-5r,6r,7s,9s,11r,16r,18s,19s-19-amino-6-3r-3,4-dicarboxybutanoyl oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl oxy-2-oxoethyl butanedioic acid |
| IUPAC Name | (2S)-2-[2-[(5R,6R,7S,9S,11R,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid |
| InChI Key | UVBUBMSSQKOIBE-UWCNXKJPSA-N |
| Molecular Formula | C34H59NO15 |
Methyl cyclohexanecarboxylate, 98%
CAS: 4630-82-4 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00001458 InChI Key: ZQWPRMPSCMSAJU-UHFFFAOYSA-N Synonym: cyclohexanecarboxylic acid, methyl ester,methyl cyclohexanoate,methyl cyclohexylcarboxylate,cyclohexanecarboxylic acid methyl ester,hexahydrobenzoic acid methyl ester,methyl cyclohexylformate,methyl hexahydrobenzoate,methyl cyclohexane carboxylate,fema no. 3568,methyl ester of cyclohexanecarboxylic acid PubChem CID: 20748 IUPAC Name: methyl cyclohexanecarboxylate SMILES: COC(=O)C1CCCCC1
| PubChem CID | 20748 |
|---|---|
| CAS | 4630-82-4 |
| Molecular Weight (g/mol) | 142.20 |
| MDL Number | MFCD00001458 |
| SMILES | COC(=O)C1CCCCC1 |
| Synonym | cyclohexanecarboxylic acid, methyl ester,methyl cyclohexanoate,methyl cyclohexylcarboxylate,cyclohexanecarboxylic acid methyl ester,hexahydrobenzoic acid methyl ester,methyl cyclohexylformate,methyl hexahydrobenzoate,methyl cyclohexane carboxylate,fema no. 3568,methyl ester of cyclohexanecarboxylic acid |
| IUPAC Name | methyl cyclohexanecarboxylate |
| InChI Key | ZQWPRMPSCMSAJU-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
Methyl 4-aminobenzoate, 98%
CAS: 619-45-4 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00007891 InChI Key: LZXXNPOYQCLXRS-UHFFFAOYSA-N Synonym: 4-aminobenzoic acid methyl ester,methyl p-aminobenzoate,benzoic acid, 4-amino-, methyl ester,p-methoxycarbonyl aniline,4-methoxycarbonyl aniline,p-aminobenzoic acid methyl ester,methyl aniline-4-carboxylate,4-carbomethoxyaniline,methyl4-aminobenzoate,benzoic acid, p-amino-, methyl ester PubChem CID: 12082 IUPAC Name: methyl 4-aminobenzoate SMILES: COC(=O)C1=CC=C(C=C1)N
| PubChem CID | 12082 |
|---|---|
| CAS | 619-45-4 |
| Molecular Weight (g/mol) | 151.165 |
| MDL Number | MFCD00007891 |
| SMILES | COC(=O)C1=CC=C(C=C1)N |
| Synonym | 4-aminobenzoic acid methyl ester,methyl p-aminobenzoate,benzoic acid, 4-amino-, methyl ester,p-methoxycarbonyl aniline,4-methoxycarbonyl aniline,p-aminobenzoic acid methyl ester,methyl aniline-4-carboxylate,4-carbomethoxyaniline,methyl4-aminobenzoate,benzoic acid, p-amino-, methyl ester |
| IUPAC Name | methyl 4-aminobenzoate |
| InChI Key | LZXXNPOYQCLXRS-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
Propargyl methacrylate, 98%, stab. with 200-300ppm 4-methoxyphenol
CAS: 13861-22-8 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00048123 InChI Key: PZAWASVJOPLHCJ-UHFFFAOYSA-N Synonym: propargyl methacrylate,2-propynyl methacrylate,2-propenoic acid, 2-methyl-, 2-propynyl ester,2-propenoic acid, 2-methyl-, 2-propyn-1-yl ester,prop-2-yn-1-yl 2-methylprop-2-enoate,prop-2-ynyl methacrylate,propargylmethacrylate,acmc-1bvgj,prop-2-yn-1-yl methacrylate,propargyl methacrylate, stabilized 10g PubChem CID: 83778 IUPAC Name: prop-2-ynyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OCC#C
| PubChem CID | 83778 |
|---|---|
| CAS | 13861-22-8 |
| Molecular Weight (g/mol) | 124.14 |
| MDL Number | MFCD00048123 |
| SMILES | CC(=C)C(=O)OCC#C |
| Synonym | propargyl methacrylate,2-propynyl methacrylate,2-propenoic acid, 2-methyl-, 2-propynyl ester,2-propenoic acid, 2-methyl-, 2-propyn-1-yl ester,prop-2-yn-1-yl 2-methylprop-2-enoate,prop-2-ynyl methacrylate,propargylmethacrylate,acmc-1bvgj,prop-2-yn-1-yl methacrylate,propargyl methacrylate, stabilized 10g |
| IUPAC Name | prop-2-ynyl 2-methylprop-2-enoate |
| InChI Key | PZAWASVJOPLHCJ-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2 |
Methyl p-toluate, 99%
CAS: 99-75-2 MDL Number: MFCD00008441 InChI Key: QSSJZLPUHJDYKF-UHFFFAOYSA-N Synonym: methyl p-toluate,methyl-p-toluate,p-carbomethoxytoluene,methyl 4-toluate,4-methylbenzoic acid methyl ester,methyl p-methylbenzoate,benzoic acid, 4-methyl-, methyl ester,4-methoxycarbonyl toluene,p-toluic acid, methyl ester,methyl p-toluenecarboxylate PubChem CID: 7455 IUPAC Name: methyl 4-methylbenzoate SMILES: CC1=CC=C(C=C1)C(=O)OC
| PubChem CID | 7455 |
|---|---|
| CAS | 99-75-2 |
| MDL Number | MFCD00008441 |
| SMILES | CC1=CC=C(C=C1)C(=O)OC |
| Synonym | methyl p-toluate,methyl-p-toluate,p-carbomethoxytoluene,methyl 4-toluate,4-methylbenzoic acid methyl ester,methyl p-methylbenzoate,benzoic acid, 4-methyl-, methyl ester,4-methoxycarbonyl toluene,p-toluic acid, methyl ester,methyl p-toluenecarboxylate |
| IUPAC Name | methyl 4-methylbenzoate |
| InChI Key | QSSJZLPUHJDYKF-UHFFFAOYSA-N |
Methyl acetate, 99%, extra pure
CAS: 79-20-9 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.08 MDL Number: MFCD00008711 InChI Key: KXKVLQRXCPHEJC-UHFFFAOYSA-N Synonym: tereton,devoton,acetic acid, methyl ester,methyl ethanoate,acetic acid methyl ester,methylacetat,acetate de methyle,methylacetaat,methyl acetic ester,octan metylu PubChem CID: 6584 ChEBI: CHEBI:77700 IUPAC Name: methyl acetate SMILES: CC(=O)OC
| PubChem CID | 6584 |
|---|---|
| CAS | 79-20-9 |
| Molecular Weight (g/mol) | 74.08 |
| ChEBI | CHEBI:77700 |
| MDL Number | MFCD00008711 |
| SMILES | CC(=O)OC |
| Synonym | tereton,devoton,acetic acid, methyl ester,methyl ethanoate,acetic acid methyl ester,methylacetat,acetate de methyle,methylacetaat,methyl acetic ester,octan metylu |
| IUPAC Name | methyl acetate |
| InChI Key | KXKVLQRXCPHEJC-UHFFFAOYSA-N |
| Molecular Formula | C3H6O2 |
Methyl trifluoroacetate, 99%
CAS: 431-47-0 Molecular Formula: C3H3F3O2 Molecular Weight (g/mol): 128.05 MDL Number: MFCD00000417 InChI Key: VMVNZNXAVJHNDJ-UHFFFAOYSA-N Synonym: methyl trifluoroacetate,trifluoroacetic acid methyl ester,acetic acid, trifluoro-, methyl ester,methyltrifluoroacetate,2,2,2-trifluoromethylacetate,acetic acid, 2,2,2-trifluoro-, methyl ester,methyl trifluoracetate,tfamt,methyl triflouroacetate,pubchem12490 PubChem CID: 9893 IUPAC Name: methyl 2,2,2-trifluoroacetate SMILES: COC(=O)C(F)(F)F
| PubChem CID | 9893 |
|---|---|
| CAS | 431-47-0 |
| Molecular Weight (g/mol) | 128.05 |
| MDL Number | MFCD00000417 |
| SMILES | COC(=O)C(F)(F)F |
| Synonym | methyl trifluoroacetate,trifluoroacetic acid methyl ester,acetic acid, trifluoro-, methyl ester,methyltrifluoroacetate,2,2,2-trifluoromethylacetate,acetic acid, 2,2,2-trifluoro-, methyl ester,methyl trifluoracetate,tfamt,methyl triflouroacetate,pubchem12490 |
| IUPAC Name | methyl 2,2,2-trifluoroacetate |
| InChI Key | VMVNZNXAVJHNDJ-UHFFFAOYSA-N |
| Molecular Formula | C3H3F3O2 |
5,6-Dihydro-2H-pyran-2-one, 90%
CAS: 3393-45-1 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.10 MDL Number: MFCD00010439 InChI Key: VREFDQNWPNDZEX-UHFFFAOYSA-N Synonym: 5,6-dihydro-2h-pyran-2-one,2h-pyran-2-one, 5,6-dihydro,5,6-dihydropyran-2-one,5,6-dihydro-pyran-2-one,chembl55078,5,6-dihydro-2-pyranone,acmc-1ck70,2-pentenoic acid, 5-hydroxy-, .delta.-lactone,5,6-dihydro-2h-pyran-2-one, technical grade PubChem CID: 520660 SMILES: O=C1CC=CCO1
| PubChem CID | 520660 |
|---|---|
| CAS | 3393-45-1 |
| Molecular Weight (g/mol) | 98.10 |
| MDL Number | MFCD00010439 |
| SMILES | O=C1CC=CCO1 |
| Synonym | 5,6-dihydro-2h-pyran-2-one,2h-pyran-2-one, 5,6-dihydro,5,6-dihydropyran-2-one,5,6-dihydro-pyran-2-one,chembl55078,5,6-dihydro-2-pyranone,acmc-1ck70,2-pentenoic acid, 5-hydroxy-, .delta.-lactone,5,6-dihydro-2h-pyran-2-one, technical grade |
| InChI Key | VREFDQNWPNDZEX-UHFFFAOYSA-N |
| Molecular Formula | C5H6O2 |
Isobutyl methacrylate, 99.5+%, stab. with 10ppm 4-methoxyphenol
CAS: 97-86-9 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00008931,MFCD00084435 InChI Key: RUMACXVDVNRZJZ-UHFFFAOYSA-N Synonym: isobutyl methacrylate,2-propenoic acid, 2-methyl-, 2-methylpropyl ester,methacrylic acid, isobutyl ester,isobutyl 2-methyl-2-propenoate,2-methylpropyl methacrylate,isobutyl alpha-methacrylate,isobutyl alpha-methylacrylate,unii-v11534uyz0,ccris 4829,isobutylester kyseliny methakrylove PubChem CID: 7352 IUPAC Name: 2-methylpropyl 2-methylprop-2-enoate SMILES: CC(C)COC(=O)C(C)=C
| PubChem CID | 7352 |
|---|---|
| CAS | 97-86-9 |
| Molecular Weight (g/mol) | 142.20 |
| MDL Number | MFCD00008931,MFCD00084435 |
| SMILES | CC(C)COC(=O)C(C)=C |
| Synonym | isobutyl methacrylate,2-propenoic acid, 2-methyl-, 2-methylpropyl ester,methacrylic acid, isobutyl ester,isobutyl 2-methyl-2-propenoate,2-methylpropyl methacrylate,isobutyl alpha-methacrylate,isobutyl alpha-methylacrylate,unii-v11534uyz0,ccris 4829,isobutylester kyseliny methakrylove |
| IUPAC Name | 2-methylpropyl 2-methylprop-2-enoate |
| InChI Key | RUMACXVDVNRZJZ-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
2-(Dimethylamino)ethyl methacrylate, 97%, stab. with ca 0.2% 4-methoxyphenol
CAS: 2867-47-2 Molecular Formula: C8H15NO2 Molecular Weight (g/mol): 157.213 MDL Number: MFCD00008589 InChI Key: JKNCOURZONDCGV-UHFFFAOYSA-N Synonym: 2-dimethylamino ethyl methacrylate,dimethylaminoethyl methacrylate,ageflex fm-1,dmaema,usaf rh-3,2-propenoic acid, 2-methyl-, 2-dimethylamino ethyl ester,2-n,n-dimethylamino ethyl methacrylate,n,n-dimethylaminoethyl methacrylate,2-dimethylaminoethyl methacrylate,n,n-dimethylethanolamine methacrylate PubChem CID: 17869 IUPAC Name: 2-(dimethylamino)ethyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OCCN(C)C
| PubChem CID | 17869 |
|---|---|
| CAS | 2867-47-2 |
| Molecular Weight (g/mol) | 157.213 |
| MDL Number | MFCD00008589 |
| SMILES | CC(=C)C(=O)OCCN(C)C |
| Synonym | 2-dimethylamino ethyl methacrylate,dimethylaminoethyl methacrylate,ageflex fm-1,dmaema,usaf rh-3,2-propenoic acid, 2-methyl-, 2-dimethylamino ethyl ester,2-n,n-dimethylamino ethyl methacrylate,n,n-dimethylaminoethyl methacrylate,2-dimethylaminoethyl methacrylate,n,n-dimethylethanolamine methacrylate |
| IUPAC Name | 2-(dimethylamino)ethyl 2-methylprop-2-enoate |
| InChI Key | JKNCOURZONDCGV-UHFFFAOYSA-N |
| Molecular Formula | C8H15NO2 |
Dimethyl acetylenedicarboxylate, 98%
CAS: 762-42-5 Molecular Formula: C6H6O4 Molecular Weight (g/mol): 142.11 MDL Number: MFCD00008456 InChI Key: VHILMKFSCRWWIJ-UHFFFAOYSA-N Synonym: dimethyl acetylenedicarboxylate,2-butynedioic acid, dimethyl ester,1,4-dimethyl but-2-ynedioate,dimethyl butynedioate,dimethyl 2-butynedioate,acetylenedicarboxylic acid dimethyl ester,dmad,methyl acetylenedicarboxylate,bis methoxycarbonyl acetylene,di carbomethoxy acetylene PubChem CID: 12980 IUPAC Name: dimethyl but-2-ynedioate SMILES: COC(=O)C#CC(=O)OC
| PubChem CID | 12980 |
|---|---|
| CAS | 762-42-5 |
| Molecular Weight (g/mol) | 142.11 |
| MDL Number | MFCD00008456 |
| SMILES | COC(=O)C#CC(=O)OC |
| Synonym | dimethyl acetylenedicarboxylate,2-butynedioic acid, dimethyl ester,1,4-dimethyl but-2-ynedioate,dimethyl butynedioate,dimethyl 2-butynedioate,acetylenedicarboxylic acid dimethyl ester,dmad,methyl acetylenedicarboxylate,bis methoxycarbonyl acetylene,di carbomethoxy acetylene |
| IUPAC Name | dimethyl but-2-ynedioate |
| InChI Key | VHILMKFSCRWWIJ-UHFFFAOYSA-N |
| Molecular Formula | C6H6O4 |
Methyl 1-cyclohexene-1-carboxylate, 98%
CAS: 18448-47-0 MDL Number: MFCD00001544 InChI Key: KXPWRCPEMHIZGU-UHFFFAOYSA-N Synonym: methyl 1-cyclohexene-1-carboxylate,methyl cyclohex-1-enecarboxylate,methyl 1-cyclohexenecarboxylate,methyl cyclohex-1-ene-1-carboxylate,1-cyclohexene-1-carboxylic acid, methyl ester,cyclohexenecarboxylic acid, methyl ester,cyclohexene-1-carboxylic acid methyl ester,methyl1-cyclohexene-1-carboxylate,pubchem11031,1-carbomethoxy cyclohexene PubChem CID: 87647 IUPAC Name: methyl cyclohexene-1-carboxylate SMILES: COC(=O)C1=CCCCC1
| PubChem CID | 87647 |
|---|---|
| CAS | 18448-47-0 |
| MDL Number | MFCD00001544 |
| SMILES | COC(=O)C1=CCCCC1 |
| Synonym | methyl 1-cyclohexene-1-carboxylate,methyl cyclohex-1-enecarboxylate,methyl 1-cyclohexenecarboxylate,methyl cyclohex-1-ene-1-carboxylate,1-cyclohexene-1-carboxylic acid, methyl ester,cyclohexenecarboxylic acid, methyl ester,cyclohexene-1-carboxylic acid methyl ester,methyl1-cyclohexene-1-carboxylate,pubchem11031,1-carbomethoxy cyclohexene |
| IUPAC Name | methyl cyclohexene-1-carboxylate |
| InChI Key | KXPWRCPEMHIZGU-UHFFFAOYSA-N |
Methyl 3-methylphenylacetate, 98%
CAS: 53088-69-0 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00968468 InChI Key: AWTKFTNNPQGGLX-UHFFFAOYSA-N Synonym: methyl 2-m-tolyl acetate,methyl 3-methylphenylacetate,methyl 2-3-methylphenyl acetate,3-methylphenylacetic acid methyl ester,benzeneacetic acid, 3-methyl-, methyl ester,methyl 2-m-tolylacetate,m-tolylacetic acid methyl ester,m-toly-acetic acid methyl ester,m-tolyl-acetic acid methyl ester,methyl 2-3-methylphenyl ethanoate PubChem CID: 5135288 IUPAC Name: methyl 2-(3-methylphenyl)acetate SMILES: COC(=O)CC1=CC=CC(C)=C1
| PubChem CID | 5135288 |
|---|---|
| CAS | 53088-69-0 |
| Molecular Weight (g/mol) | 164.20 |
| MDL Number | MFCD00968468 |
| SMILES | COC(=O)CC1=CC=CC(C)=C1 |
| Synonym | methyl 2-m-tolyl acetate,methyl 3-methylphenylacetate,methyl 2-3-methylphenyl acetate,3-methylphenylacetic acid methyl ester,benzeneacetic acid, 3-methyl-, methyl ester,methyl 2-m-tolylacetate,m-tolylacetic acid methyl ester,m-toly-acetic acid methyl ester,m-tolyl-acetic acid methyl ester,methyl 2-3-methylphenyl ethanoate |
| IUPAC Name | methyl 2-(3-methylphenyl)acetate |
| InChI Key | AWTKFTNNPQGGLX-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |