Organooxygen compounds
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4-Benzyloxyindole 98.0+%, TCI America™
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CAS: 20289-26-3 Molecular Formula: C15H13NO Molecular Weight (g/mol): 223.275 InChI Key: LJFVSIDBFJPKLD-UHFFFAOYSA-N Synonym: 4-benzyloxyindole,4-benzyloxy-1h-indole,4-phenylmethoxy-1h-indole,1h-indole, 4-phenylmethoxy,4-benzyloxy-indole,4-phenylmethoxy indole,4-benzoxyindole,4-benzyloxy-indol,4-benzyloxyindole; PubChem CID: 88465 IUPAC Name: 4-phenylmethoxy-1H-indole SMILES: C1=CC=C(C=C1)COC2=CC=CC3=C2C=CN3
| PubChem CID | 88465 |
|---|---|
| CAS | 20289-26-3 |
| Molecular Weight (g/mol) | 223.275 |
| SMILES | C1=CC=C(C=C1)COC2=CC=CC3=C2C=CN3 |
| Synonym | 4-benzyloxyindole,4-benzyloxy-1h-indole,4-phenylmethoxy-1h-indole,1h-indole, 4-phenylmethoxy,4-benzyloxy-indole,4-phenylmethoxy indole,4-benzoxyindole,4-benzyloxy-indol,4-benzyloxyindole; |
| IUPAC Name | 4-phenylmethoxy-1H-indole |
| InChI Key | LJFVSIDBFJPKLD-UHFFFAOYSA-N |
| Molecular Formula | C15H13NO |
Benzoylacetonitrile 98.0+%, TCI America™
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CAS: 614-16-4 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00001942 InChI Key: ZJRCIQAMTAINCB-UHFFFAOYSA-N Synonym: benzoylacetonitrile,2-cyanoacetophenone,phenacyl cyanide,3-oxo-3-phenyl-propionitrile,cyanomethyl phenyl ketone,acetonitrile, benzoyl,cyanoacetophenone,3-phenyl-3-ketopropionitrile,benzenepropanenitrile, beta-oxo,benzoyl acetonitrile PubChem CID: 64799 ChEBI: CHEBI:51855 IUPAC Name: 3-oxo-3-phenylpropanenitrile SMILES: O=C(CC#N)C1=CC=CC=C1
| PubChem CID | 64799 |
|---|---|
| CAS | 614-16-4 |
| Molecular Weight (g/mol) | 145.16 |
| ChEBI | CHEBI:51855 |
| MDL Number | MFCD00001942 |
| SMILES | O=C(CC#N)C1=CC=CC=C1 |
| Synonym | benzoylacetonitrile,2-cyanoacetophenone,phenacyl cyanide,3-oxo-3-phenyl-propionitrile,cyanomethyl phenyl ketone,acetonitrile, benzoyl,cyanoacetophenone,3-phenyl-3-ketopropionitrile,benzenepropanenitrile, beta-oxo,benzoyl acetonitrile |
| IUPAC Name | 3-oxo-3-phenylpropanenitrile |
| InChI Key | ZJRCIQAMTAINCB-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
3-Hexyn-2-one 95.0+%, TCI America™
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CAS: 1679-36-3 Molecular Formula: C6H8O Molecular Weight (g/mol): 96.129 MDL Number: MFCD00041627 InChI Key: LTAPKZGQTMVYMX-UHFFFAOYSA-N Synonym: 3-hexyn-2-one,2-oxo-3-hexyne,acmc-209dxd,1-butynyl methyl ketone PubChem CID: 137151 IUPAC Name: hex-3-yn-2-one SMILES: CCC#CC(=O)C
| PubChem CID | 137151 |
|---|---|
| CAS | 1679-36-3 |
| Molecular Weight (g/mol) | 96.129 |
| MDL Number | MFCD00041627 |
| SMILES | CCC#CC(=O)C |
| Synonym | 3-hexyn-2-one,2-oxo-3-hexyne,acmc-209dxd,1-butynyl methyl ketone |
| IUPAC Name | hex-3-yn-2-one |
| InChI Key | LTAPKZGQTMVYMX-UHFFFAOYSA-N |
| Molecular Formula | C6H8O |
Di-1-naphthylmethanol 98.0+%, TCI America™
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CAS: 62784-66-1 Molecular Formula: C21H16O Molecular Weight (g/mol): 284.36 MDL Number: MFCD11096937 InChI Key: NHIXQVYVFRYTOB-UHFFFAOYSA-N Synonym: Bis(alpha-naphthyl)methanol PubChem CID: 593473 IUPAC Name: bis(naphthalen-1-yl)methanol SMILES: OC(C1=CC=CC2=CC=CC=C12)C1=C2C=CC=CC2=CC=C1
| PubChem CID | 593473 |
|---|---|
| CAS | 62784-66-1 |
| Molecular Weight (g/mol) | 284.36 |
| MDL Number | MFCD11096937 |
| SMILES | OC(C1=CC=CC2=CC=CC=C12)C1=C2C=CC=CC2=CC=C1 |
| Synonym | Bis(alpha-naphthyl)methanol |
| IUPAC Name | bis(naphthalen-1-yl)methanol |
| InChI Key | NHIXQVYVFRYTOB-UHFFFAOYSA-N |
| Molecular Formula | C21H16O |
2'-Amino-4',5'-dimethoxyacetophenone 98.0+%, TCI America™
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CAS: 4101-30-8 Molecular Formula: C10H13NO3 Molecular Weight (g/mol): 195.218 MDL Number: MFCD00016646 InChI Key: KGKWXEGYKGTMAK-UHFFFAOYSA-N Synonym: 1-2-amino-4,5-dimethoxyphenyl ethanone,2'-amino-4',5'-dimethoxyacetophenone,2-amino-4,5-dimethoxyacetophenone,1-2-amino-4,5-dimethoxyphenyl ethan-1-one,1-2-amino-4,5-dimethoxyhenyl ethanone,ethanone, 1-2-amino-4,5-dimethoxyphenyl,1-acetyl-2-amino-4,5-dimethoxybenzene,pubchem4007,acmc-1arib,2-acetyl-4,5-dimethoxyaniline PubChem CID: 602085 IUPAC Name: 1-(2-amino-4,5-dimethoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1N)OC)OC
| PubChem CID | 602085 |
|---|---|
| CAS | 4101-30-8 |
| Molecular Weight (g/mol) | 195.218 |
| MDL Number | MFCD00016646 |
| SMILES | CC(=O)C1=CC(=C(C=C1N)OC)OC |
| Synonym | 1-2-amino-4,5-dimethoxyphenyl ethanone,2'-amino-4',5'-dimethoxyacetophenone,2-amino-4,5-dimethoxyacetophenone,1-2-amino-4,5-dimethoxyphenyl ethan-1-one,1-2-amino-4,5-dimethoxyhenyl ethanone,ethanone, 1-2-amino-4,5-dimethoxyphenyl,1-acetyl-2-amino-4,5-dimethoxybenzene,pubchem4007,acmc-1arib,2-acetyl-4,5-dimethoxyaniline |
| IUPAC Name | 1-(2-amino-4,5-dimethoxyphenyl)ethanone |
| InChI Key | KGKWXEGYKGTMAK-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO3 |
Diphenoxymethane 98.0+%, TCI America™
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CAS: 4442-41-5 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.237 MDL Number: MFCD00191642 InChI Key: VTXLTXPNXYLCQD-UHFFFAOYSA-N Synonym: Formaldehyde Diphenyl Acetal, Methylene Glycol Diphenyl Ether PubChem CID: 78183 IUPAC Name: phenoxymethoxybenzene SMILES: C1=CC=C(C=C1)OCOC2=CC=CC=C2
| PubChem CID | 78183 |
|---|---|
| CAS | 4442-41-5 |
| Molecular Weight (g/mol) | 200.237 |
| MDL Number | MFCD00191642 |
| SMILES | C1=CC=C(C=C1)OCOC2=CC=CC=C2 |
| Synonym | Formaldehyde Diphenyl Acetal, Methylene Glycol Diphenyl Ether |
| IUPAC Name | phenoxymethoxybenzene |
| InChI Key | VTXLTXPNXYLCQD-UHFFFAOYSA-N |
| Molecular Formula | C13H12O2 |
5-Methoxypyridine-3-boronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 2763087 |
|---|---|
| CAS | 850991-69-4 |
| Molecular Weight (g/mol) | 152.944 |
| MDL Number | MFCD03425977 |
| Color | White |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC(=CN=C1)OC)(O)O |
| TSCA | No |
| IUPAC Name | (5-methoxypyridin-3-yl)boronic acid |
| InChI Key | ISDFOFZTZUILPE-UHFFFAOYSA-N |
| Molecular Formula | C6H8BNO3 |
| Formula Weight | 152.94 |
Dibenzothiophene-4-carboxaldehyde 98.0+%, TCI America™
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CAS: 23985-81-1 Molecular Formula: C13H8OS Molecular Weight (g/mol): 212.266 MDL Number: MFCD00961967 InChI Key: XESZAOMRYLSHOM-UHFFFAOYSA-N Synonym: dibenzo b,d thiophene-4-carbaldehyde,dibenzothiophene-4-carboxaldehyde,dibenzo b,d thiophene-4-carboxaldehyde,8-thiatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2 7 ,3,5,10,12-hexaene-6-carbaldehyde,4-dibenzothiophenecarboxaldehyde,benzo b benzo b thiophene-4-carbaldehyde,dibenzo b,d ?thiophene-?4-?carbaldehyde,8-thiatricyclo 7.4.0.0^ 2,7 trideca-1 13 ,2,4,6,9,11-hexaene-6-carbaldehyde,8-thiatricyclo 7.4.0.0 2 ,? trideca-1 13 ,2 7 ,3,5,9,11-hexaene-6-carbaldehyde PubChem CID: 641359 IUPAC Name: dibenzothiophene-4-carbaldehyde SMILES: C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)C=O
| PubChem CID | 641359 |
|---|---|
| CAS | 23985-81-1 |
| Molecular Weight (g/mol) | 212.266 |
| MDL Number | MFCD00961967 |
| SMILES | C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)C=O |
| Synonym | dibenzo b,d thiophene-4-carbaldehyde,dibenzothiophene-4-carboxaldehyde,dibenzo b,d thiophene-4-carboxaldehyde,8-thiatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2 7 ,3,5,10,12-hexaene-6-carbaldehyde,4-dibenzothiophenecarboxaldehyde,benzo b benzo b thiophene-4-carbaldehyde,dibenzo b,d ?thiophene-?4-?carbaldehyde,8-thiatricyclo 7.4.0.0^ 2,7 trideca-1 13 ,2,4,6,9,11-hexaene-6-carbaldehyde,8-thiatricyclo 7.4.0.0 2 ,? trideca-1 13 ,2 7 ,3,5,9,11-hexaene-6-carbaldehyde |
| IUPAC Name | dibenzothiophene-4-carbaldehyde |
| InChI Key | XESZAOMRYLSHOM-UHFFFAOYSA-N |
| Molecular Formula | C13H8OS |
(1S,2S)-N,N'-Bis(2-acetyl-3-oxo-2-butenylidene)-1,2-dimesitylethylenediaminato Cobalt(II), TCI America™
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CAS: 259259-80-8 Molecular Formula: C32H38CoN2O4 Molecular Weight (g/mol): 573.599 MDL Number: MFCD06797062 InChI Key: PHCQQLMRNZRDJA-VURWZECESA-L Synonym: (S)-AMAC PubChem CID: 11599487 IUPAC Name: (E)-3-[[(1S,2S)-2-[[(E)-2-acetyl-3-oxidobut-2-enylidene]amino]-1,2-bis(2,4,6-trimethylphenyl)ethyl]iminomethyl]-4-oxopent-2-en-2-olate;cobalt(2+) SMILES: CC1=CC(=C(C(=C1)C)C(C(C2=C(C=C(C=C2C)C)C)N=CC(=C(C)[O-])C(=O)C)N=CC(=C(C)[O-])C(=O)C)C.[Co+2]
| PubChem CID | 11599487 |
|---|---|
| CAS | 259259-80-8 |
| Molecular Weight (g/mol) | 573.599 |
| MDL Number | MFCD06797062 |
| SMILES | CC1=CC(=C(C(=C1)C)C(C(C2=C(C=C(C=C2C)C)C)N=CC(=C(C)[O-])C(=O)C)N=CC(=C(C)[O-])C(=O)C)C.[Co+2] |
| Synonym | (S)-AMAC |
| IUPAC Name | (E)-3-[[(1S,2S)-2-[[(E)-2-acetyl-3-oxidobut-2-enylidene]amino]-1,2-bis(2,4,6-trimethylphenyl)ethyl]iminomethyl]-4-oxopent-2-en-2-olate;cobalt(2+) |
| InChI Key | PHCQQLMRNZRDJA-VURWZECESA-L |
| Molecular Formula | C32H38CoN2O4 |
Dimethoxypillar[5]arene 98.0+%, TCI America™
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CAS: 1188423-16-6 Molecular Formula: C45H50O10 Molecular Weight (g/mol): 750.89 MDL Number: MFCD28386103 InChI Key: HJDHAGKELBPBLT-UHFFFAOYSA-N Synonym: DMpillar[5]arene PubChem CID: 50940580 IUPAC Name: 4,9,14,20,25,27,29,30,32,34-decamethoxyhexacyclo[21.2.2.2³,⁶.2⁸,¹¹.2¹³,¹⁶.2¹⁸,²¹]pentatriaconta-1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene SMILES: COC1=CC2=C(OC)C=C1CC1=CC(OC)=C(CC3=CC(OC)=C(CC4=C(OC)C=C(CC5=C(OC)C=C(C2)C(OC)=C5)C(OC)=C4)C=C3OC)C=C1OC
| PubChem CID | 50940580 |
|---|---|
| CAS | 1188423-16-6 |
| Molecular Weight (g/mol) | 750.89 |
| MDL Number | MFCD28386103 |
| SMILES | COC1=CC2=C(OC)C=C1CC1=CC(OC)=C(CC3=CC(OC)=C(CC4=C(OC)C=C(CC5=C(OC)C=C(C2)C(OC)=C5)C(OC)=C4)C=C3OC)C=C1OC |
| Synonym | DMpillar[5]arene |
| IUPAC Name | 4,9,14,20,25,27,29,30,32,34-decamethoxyhexacyclo[21.2.2.2³,⁶.2⁸,¹¹.2¹³,¹⁶.2¹⁸,²¹]pentatriaconta-1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene |
| InChI Key | HJDHAGKELBPBLT-UHFFFAOYSA-N |
| Molecular Formula | C45H50O10 |
Benzyl 2-Hydroxyphenyl Ketone 98.0+%, TCI America™
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CAS: 2491-31-8 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00218589 InChI Key: VGHVJQXWDXRTRJ-UHFFFAOYSA-N Synonym: 2′C-Hydroxy-2-phenylacetophenone PubChem CID: 137612 IUPAC Name: 1-(2-hydroxyphenyl)-2-phenylethan-1-one SMILES: OC1=CC=CC=C1C(=O)CC1=CC=CC=C1
| PubChem CID | 137612 |
|---|---|
| CAS | 2491-31-8 |
| Molecular Weight (g/mol) | 212.25 |
| MDL Number | MFCD00218589 |
| SMILES | OC1=CC=CC=C1C(=O)CC1=CC=CC=C1 |
| Synonym | 2′C-Hydroxy-2-phenylacetophenone |
| IUPAC Name | 1-(2-hydroxyphenyl)-2-phenylethan-1-one |
| InChI Key | VGHVJQXWDXRTRJ-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
3-Methoxy-3-methylbutanol 98.0+%, TCI America™
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CAS: 56539-66-3 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.176 MDL Number: MFCD00044771 InChI Key: MFKRHJVUCZRDTF-UHFFFAOYSA-N Synonym: 3-methoxy-3-methyl-1-butanol,3-methyl-3-methoxybutanol,3-methoxy-3-methylbutanol,1-butanol, 3-methoxy-3-methyl,methoxymethylbutanol,3-methoxy-3-methyl-butan-1-ol,acmc-1bbqk,dsstox_cid_24389,dsstox_rid_80190,dsstox_gsid_44389 PubChem CID: 62118 IUPAC Name: 3-methoxy-3-methylbutan-1-ol SMILES: CC(C)(CCO)OC
| PubChem CID | 62118 |
|---|---|
| CAS | 56539-66-3 |
| Molecular Weight (g/mol) | 118.176 |
| MDL Number | MFCD00044771 |
| SMILES | CC(C)(CCO)OC |
| Synonym | 3-methoxy-3-methyl-1-butanol,3-methyl-3-methoxybutanol,3-methoxy-3-methylbutanol,1-butanol, 3-methoxy-3-methyl,methoxymethylbutanol,3-methoxy-3-methyl-butan-1-ol,acmc-1bbqk,dsstox_cid_24389,dsstox_rid_80190,dsstox_gsid_44389 |
| IUPAC Name | 3-methoxy-3-methylbutan-1-ol |
| InChI Key | MFKRHJVUCZRDTF-UHFFFAOYSA-N |
| Molecular Formula | C6H14O2 |
2-Amino-4-methoxybenzothiazole 98.0+%, TCI America™
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CAS: 5464-79-9 Molecular Formula: C8H8N2OS Molecular Weight (g/mol): 180.225 MDL Number: MFCD00005792 InChI Key: YEBCRAVYUWNFQT-UHFFFAOYSA-N Synonym: 2-amino-4-methoxybenzothiazole,4-methoxy-2-aminobenzothiazole,2-benzothiazolamine, 4-methoxy,4-methoxybenzo d thiazol-2-amine,2-amino-4-methoxy-benzothiazole,benzothiazole, 2-amino-4-methoxy,4-methoxy-benzothiazol-2-ylamine,4-methoxybenzothiazol-2-ylamine,4-methoxybenzothiazole-2-ylamine,2-benzothiazolamine, 4-methoxy-9ci PubChem CID: 21622 IUPAC Name: 4-methoxy-1,3-benzothiazol-2-amine SMILES: COC1=C2C(=CC=C1)SC(=N2)N
| PubChem CID | 21622 |
|---|---|
| CAS | 5464-79-9 |
| Molecular Weight (g/mol) | 180.225 |
| MDL Number | MFCD00005792 |
| SMILES | COC1=C2C(=CC=C1)SC(=N2)N |
| Synonym | 2-amino-4-methoxybenzothiazole,4-methoxy-2-aminobenzothiazole,2-benzothiazolamine, 4-methoxy,4-methoxybenzo d thiazol-2-amine,2-amino-4-methoxy-benzothiazole,benzothiazole, 2-amino-4-methoxy,4-methoxy-benzothiazol-2-ylamine,4-methoxybenzothiazol-2-ylamine,4-methoxybenzothiazole-2-ylamine,2-benzothiazolamine, 4-methoxy-9ci |
| IUPAC Name | 4-methoxy-1,3-benzothiazol-2-amine |
| InChI Key | YEBCRAVYUWNFQT-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2OS |
6-Chloro-2-pyridinecarboxaldehyde 98.0+%, TCI America™
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CAS: 54087-03-5 Molecular Formula: C6H4ClNO Molecular Weight (g/mol): 141.554 MDL Number: MFCD09832941 InChI Key: XTRLIKXVRGWTKW-UHFFFAOYSA-N Synonym: 6-chloropicolinaldehyde,6-chloro-2-pyridinecarbaldehyde,6-chloro-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 6-chloro,2-chloro-6-formylpyridine,6-chloro-2-formylpyridine,2-chloropyridine-6-carboxaldehyde,6-chloro-2-pyridinecarboxaldehyde,pubchem13323,chloropyridinecarbaldehyde PubChem CID: 10796848 IUPAC Name: 6-chloropyridine-2-carbaldehyde SMILES: C1=CC(=NC(=C1)Cl)C=O
| PubChem CID | 10796848 |
|---|---|
| CAS | 54087-03-5 |
| Molecular Weight (g/mol) | 141.554 |
| MDL Number | MFCD09832941 |
| SMILES | C1=CC(=NC(=C1)Cl)C=O |
| Synonym | 6-chloropicolinaldehyde,6-chloro-2-pyridinecarbaldehyde,6-chloro-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 6-chloro,2-chloro-6-formylpyridine,6-chloro-2-formylpyridine,2-chloropyridine-6-carboxaldehyde,6-chloro-2-pyridinecarboxaldehyde,pubchem13323,chloropyridinecarbaldehyde |
| IUPAC Name | 6-chloropyridine-2-carbaldehyde |
| InChI Key | XTRLIKXVRGWTKW-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO |
3-Decen-2-one 93.0+%, TCI America™
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CAS: 10519-33-2 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 MDL Number: MFCD00015700 InChI Key: JRPDANVNRUIUAB-CMDGGOBGSA-N Synonym: 3-decen-2-one,heptylidene acetone,oenanthylidene acetone,e-3-decen-2-one,unii-z22804bqxd,3e-dec-3-en-2-one,e-dec-3-en-2-one,dec-3-en-2-one,fema no. 3532,enanthylidene acetone PubChem CID: 5363233 IUPAC Name: (E)-dec-3-en-2-one SMILES: CCCCCCC=CC(=O)C
| PubChem CID | 5363233 |
|---|---|
| CAS | 10519-33-2 |
| Molecular Weight (g/mol) | 154.253 |
| MDL Number | MFCD00015700 |
| SMILES | CCCCCCC=CC(=O)C |
| Synonym | 3-decen-2-one,heptylidene acetone,oenanthylidene acetone,e-3-decen-2-one,unii-z22804bqxd,3e-dec-3-en-2-one,e-dec-3-en-2-one,dec-3-en-2-one,fema no. 3532,enanthylidene acetone |
| IUPAC Name | (E)-dec-3-en-2-one |
| InChI Key | JRPDANVNRUIUAB-CMDGGOBGSA-N |
| Molecular Formula | C10H18O |