Organooxygen compounds
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2,6-Dichloroindophenol Sodium Salt Dihydrate 95.0+%, TCI America™
CAS: 620-45-1 Molecular Formula: C12H6Cl2NNaO2 Molecular Weight (g/mol): 290.07 MDL Number: MFCD00150014 InChI Key: FHLDWQLHDYCXKI-UHFFFAOYSA-M Synonym: 2,6-dichloroindophenol sodium salt,2,6-dichlorophenolindophenol sodium salt,tillman's reagent,tillman's reagenz,dichlorphenol-indophenolnatrium,2,6-dichloroindophenol sodium,unii-kad7q8xo1y,sodium 2,6-dichloroindophenol,sodium 2,6-dichloroindophenolate,2,6-dichloroindophenol, sodium salt PubChem CID: 23697355 ChEBI: CHEBI:948 IUPAC Name: sodium 2,6-dichloro-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]benzen-1-olate SMILES: [Na+].[O-]C1=C(Cl)C=C(C=C1Cl)N=C1C=CC(=O)C=C1
| PubChem CID | 23697355 |
|---|---|
| CAS | 620-45-1 |
| Molecular Weight (g/mol) | 290.07 |
| ChEBI | CHEBI:948 |
| MDL Number | MFCD00150014 |
| SMILES | [Na+].[O-]C1=C(Cl)C=C(C=C1Cl)N=C1C=CC(=O)C=C1 |
| Synonym | 2,6-dichloroindophenol sodium salt,2,6-dichlorophenolindophenol sodium salt,tillman's reagent,tillman's reagenz,dichlorphenol-indophenolnatrium,2,6-dichloroindophenol sodium,unii-kad7q8xo1y,sodium 2,6-dichloroindophenol,sodium 2,6-dichloroindophenolate,2,6-dichloroindophenol, sodium salt |
| IUPAC Name | sodium 2,6-dichloro-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]benzen-1-olate |
| InChI Key | FHLDWQLHDYCXKI-UHFFFAOYSA-M |
| Molecular Formula | C12H6Cl2NNaO2 |
(+/-)-1,3-Butanediol, 99%
CAS: 107-88-0 Molecular Formula: C4H10O2 Molecular Weight (g/mol): 90.122 MDL Number: MFCD00004554 InChI Key: PUPZLCDOIYMWBV-UHFFFAOYSA-N Synonym: 1,3-butanediol,1,3-butylene glycol,1,3-dihydroxybutane,methyltrimethylene glycol,1,3-butandiol,1-methyl-1,3-propanediol,beta-butylene glycol,1,3 butylene glycol,1,3-butylenglykol,rs-1,3-butandiol PubChem CID: 7896 ChEBI: CHEBI:52683 IUPAC Name: butane-1,3-diol SMILES: CC(CCO)O
| PubChem CID | 7896 |
|---|---|
| CAS | 107-88-0 |
| Molecular Weight (g/mol) | 90.122 |
| ChEBI | CHEBI:52683 |
| MDL Number | MFCD00004554 |
| SMILES | CC(CCO)O |
| Synonym | 1,3-butanediol,1,3-butylene glycol,1,3-dihydroxybutane,methyltrimethylene glycol,1,3-butandiol,1-methyl-1,3-propanediol,beta-butylene glycol,1,3 butylene glycol,1,3-butylenglykol,rs-1,3-butandiol |
| IUPAC Name | butane-1,3-diol |
| InChI Key | PUPZLCDOIYMWBV-UHFFFAOYSA-N |
| Molecular Formula | C4H10O2 |
3-Methoxypropylamine, 99+%, Thermo Scientific Chemicals
CAS: 5332-73-0 Molecular Formula: C4H11NO Molecular Weight (g/mol): 89.14 MDL Number: MFCD00014831 InChI Key: FAXDZWQIWUSWJH-UHFFFAOYSA-N Synonym: 3-methoxypropylamine,1-propanamine, 3-methoxy,1-amino-3-methoxypropane,3-aminopropyl methyl ether,3-methyoxypropylamine,3-methoxy-n-propylamine,3-methoxy-1-propanamine,propylamine, 3-methoxy,3-mpa,propanolamine methyl ether PubChem CID: 1672 IUPAC Name: 3-methoxypropan-1-amine SMILES: COCCCN
| PubChem CID | 1672 |
|---|---|
| CAS | 5332-73-0 |
| Molecular Weight (g/mol) | 89.14 |
| MDL Number | MFCD00014831 |
| SMILES | COCCCN |
| Synonym | 3-methoxypropylamine,1-propanamine, 3-methoxy,1-amino-3-methoxypropane,3-aminopropyl methyl ether,3-methyoxypropylamine,3-methoxy-n-propylamine,3-methoxy-1-propanamine,propylamine, 3-methoxy,3-mpa,propanolamine methyl ether |
| IUPAC Name | 3-methoxypropan-1-amine |
| InChI Key | FAXDZWQIWUSWJH-UHFFFAOYSA-N |
| Molecular Formula | C4H11NO |
18-Crown 6-Ether 98.0+%, TCI America™
CAS: 17455-13-9 Molecular Formula: C12H24O6 Molecular Weight (g/mol): 264.32 MDL Number: MFCD00005113 InChI Key: XEZNGIUYQVAUSS-UHFFFAOYSA-N Synonym: 18-crown-6,18-crown-6 ether,ethylene oxide cyclic hexamer,18-crown-6-ether,unii-63j177nc5b,ccris 3587,18-crown 6-ether,1,4,7,10,13,16-hexanoxacyclooctadecane,18-crown-6/1,4,7,10,13,16-hexaoxacyclooctadecane PubChem CID: 28557 ChEBI: CHEBI:32397 IUPAC Name: 1,4,7,10,13,16-hexaoxacyclooctadecane SMILES: C1COCCOCCOCCOCCOCCO1
| PubChem CID | 28557 |
|---|---|
| CAS | 17455-13-9 |
| Molecular Weight (g/mol) | 264.32 |
| ChEBI | CHEBI:32397 |
| MDL Number | MFCD00005113 |
| SMILES | C1COCCOCCOCCOCCOCCO1 |
| Synonym | 18-crown-6,18-crown-6 ether,ethylene oxide cyclic hexamer,18-crown-6-ether,unii-63j177nc5b,ccris 3587,18-crown 6-ether,1,4,7,10,13,16-hexanoxacyclooctadecane,18-crown-6/1,4,7,10,13,16-hexaoxacyclooctadecane |
| IUPAC Name | 1,4,7,10,13,16-hexaoxacyclooctadecane |
| InChI Key | XEZNGIUYQVAUSS-UHFFFAOYSA-N |
| Molecular Formula | C12H24O6 |
Thermo Scientific Chemicals 2-Deoxy-D-ribose, 99%
CAS: 533-67-5 Molecular Formula: C5H10O4 Molecular Weight (g/mol): 134.13 MDL Number: MFCD00135904 InChI Key: PDWIQYODPROSQH-GLULIZFNNA-N Synonym: 2-deoxy-d-ribose,thyminose,3s,4r-3,4,5-trihydroxypentanal,deoxyribose,2-deoxy-d-erythro-pentose,2-deoxyribose,d-drib,2-deoxy-d-arabinose,unii-lsw4h01241,2-deoxy-d-erythropentose PubChem CID: 5460005 ChEBI: CHEBI:28816 IUPAC Name: (3S,4R)-3,4,5-trihydroxypentanal SMILES: OC[C@H]1OC(O)C[C@@H]1O
| PubChem CID | 5460005 |
|---|---|
| CAS | 533-67-5 |
| Molecular Weight (g/mol) | 134.13 |
| ChEBI | CHEBI:28816 |
| MDL Number | MFCD00135904 |
| SMILES | OC[C@H]1OC(O)C[C@@H]1O |
| Synonym | 2-deoxy-d-ribose,thyminose,3s,4r-3,4,5-trihydroxypentanal,deoxyribose,2-deoxy-d-erythro-pentose,2-deoxyribose,d-drib,2-deoxy-d-arabinose,unii-lsw4h01241,2-deoxy-d-erythropentose |
| IUPAC Name | (3S,4R)-3,4,5-trihydroxypentanal |
| InChI Key | PDWIQYODPROSQH-GLULIZFNNA-N |
| Molecular Formula | C5H10O4 |
Fluoromethyl 1,1,1,3,3,3-hexafluoroisopropyl ether, 98+%
CAS: 28523-86-6 Molecular Formula: C4H3F7O Molecular Weight (g/mol): 200.056 MDL Number: MFCD00153189 InChI Key: DFEYYRMXOJXZRJ-UHFFFAOYSA-N Synonym: sevoflurane,sevofluran,ultane,1,1,1,3,3,3-hexafluoro-2-fluoromethoxy propane,sevoflurano,sevofluranum,sevorane,sojourn,mr6s4,sevofluranum inn-latin PubChem CID: 5206 ChEBI: CHEBI:9130 IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane SMILES: C(OC(C(F)(F)F)C(F)(F)F)F
| PubChem CID | 5206 |
|---|---|
| CAS | 28523-86-6 |
| Molecular Weight (g/mol) | 200.056 |
| ChEBI | CHEBI:9130 |
| MDL Number | MFCD00153189 |
| SMILES | C(OC(C(F)(F)F)C(F)(F)F)F |
| Synonym | sevoflurane,sevofluran,ultane,1,1,1,3,3,3-hexafluoro-2-fluoromethoxy propane,sevoflurano,sevofluranum,sevorane,sojourn,mr6s4,sevofluranum inn-latin |
| IUPAC Name | 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane |
| InChI Key | DFEYYRMXOJXZRJ-UHFFFAOYSA-N |
| Molecular Formula | C4H3F7O |
Ethyl hydrogen malonate, 96%
CAS: 1071-46-1 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.115 MDL Number: MFCD00020490 InChI Key: HGINADPHJQTSKN-UHFFFAOYSA-N Synonym: ethyl hydrogen malonate,monoethyl malonate,monoethyl malonic acid,mono-ethyl malonate,monoethyl hydrogen malonate,malonic acid monoethyl ester,ethoxycarbonyl acetic acid,2-ethoxycarbonyl acetic acid,3-ethoxy-3-oxo-propanoic acid,ethylhydrogenmalonate PubChem CID: 70615 ChEBI: CHEBI:86907 IUPAC Name: 3-ethoxy-3-oxopropanoic acid SMILES: CCOC(=O)CC(=O)O
| PubChem CID | 70615 |
|---|---|
| CAS | 1071-46-1 |
| Molecular Weight (g/mol) | 132.115 |
| ChEBI | CHEBI:86907 |
| MDL Number | MFCD00020490 |
| SMILES | CCOC(=O)CC(=O)O |
| Synonym | ethyl hydrogen malonate,monoethyl malonate,monoethyl malonic acid,mono-ethyl malonate,monoethyl hydrogen malonate,malonic acid monoethyl ester,ethoxycarbonyl acetic acid,2-ethoxycarbonyl acetic acid,3-ethoxy-3-oxo-propanoic acid,ethylhydrogenmalonate |
| IUPAC Name | 3-ethoxy-3-oxopropanoic acid |
| InChI Key | HGINADPHJQTSKN-UHFFFAOYSA-N |
| Molecular Formula | C5H8O4 |
cis-1,2-Cyclohexanediol, 99%
CAS: 1792-81-0 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00064944 InChI Key: PFURGBBHAOXLIO-OLQVQODUSA-N Synonym: cis-1,2-cyclohexanediol,cis-cyclohexane-1,2-diol,grandidentol,cis-1,2-dihydroxycyclohexane,1r,2s-cyclohexane-1,2-diol,1,2-cyclohexanediol, cis,1,2-cyclohexanediol, cis-8ci 9ci,1,2-cyclohexanediol, 1r,2s-rel,cis-1,2-cyclohexandiol,1alpha,2alpha-cyclohexanediol PubChem CID: 92903 ChEBI: CHEBI:32329 IUPAC Name: (1R,2S)-cyclohexane-1,2-diol SMILES: C1CCC(C(C1)O)O
| PubChem CID | 92903 |
|---|---|
| CAS | 1792-81-0 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:32329 |
| MDL Number | MFCD00064944 |
| SMILES | C1CCC(C(C1)O)O |
| Synonym | cis-1,2-cyclohexanediol,cis-cyclohexane-1,2-diol,grandidentol,cis-1,2-dihydroxycyclohexane,1r,2s-cyclohexane-1,2-diol,1,2-cyclohexanediol, cis,1,2-cyclohexanediol, cis-8ci 9ci,1,2-cyclohexanediol, 1r,2s-rel,cis-1,2-cyclohexandiol,1alpha,2alpha-cyclohexanediol |
| IUPAC Name | (1R,2S)-cyclohexane-1,2-diol |
| InChI Key | PFURGBBHAOXLIO-OLQVQODUSA-N |
| Molecular Formula | C6H12O2 |
2,4-Hexadienal, predominantly trans,trans, 95%
CAS: 142-83-6 Molecular Formula: C6H8O Molecular Weight (g/mol): 96.129 MDL Number: MFCD00007004 InChI Key: BATOPAZDIZEVQF-MQQKCMAXSA-N Synonym: 2,4-hexadienal,hexa-2,4-dienal,sorbaldehyde,sorbic aldehyde,trans,trans-2,4-hexadienal,2e,4e-hexa-2,4-dienal,2,4-hexadienal, 2e,4e,2,4-hexadienal, e,e,2-propyleneacrolein,3-propyleneacrolein PubChem CID: 637564 ChEBI: CHEBI:82334 IUPAC Name: (2E,4E)-hexa-2,4-dienal SMILES: CC=CC=CC=O
| PubChem CID | 637564 |
|---|---|
| CAS | 142-83-6 |
| Molecular Weight (g/mol) | 96.129 |
| ChEBI | CHEBI:82334 |
| MDL Number | MFCD00007004 |
| SMILES | CC=CC=CC=O |
| Synonym | 2,4-hexadienal,hexa-2,4-dienal,sorbaldehyde,sorbic aldehyde,trans,trans-2,4-hexadienal,2e,4e-hexa-2,4-dienal,2,4-hexadienal, 2e,4e,2,4-hexadienal, e,e,2-propyleneacrolein,3-propyleneacrolein |
| IUPAC Name | (2E,4E)-hexa-2,4-dienal |
| InChI Key | BATOPAZDIZEVQF-MQQKCMAXSA-N |
| Molecular Formula | C6H8O |
2,6-Diacetylpyridine, 99%
CAS: 1129-30-2 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00006304 InChI Key: BEZVGIHGZPLGBL-UHFFFAOYSA-N Synonym: 2,6-diacetylpyridine,1,1'-pyridine-2,6-diyl diethanone,1-6-acetylpyridin-2-yl ethanone,pyridine-2,6-diacetyl,2,6-diacetyl pyridine,1-6-acetyl-pyridin-2-yl-ethanone,ethanone, 1,1'-2,6-pyridinediyl bis,1-6-acetylpyridin-2-yl ethan-1-one,2,6diacetylpyridine,pubchem3144 PubChem CID: 70790 IUPAC Name: 1-(6-acetylpyridin-2-yl)ethanone SMILES: CC(=O)C1=CC=CC(=N1)C(C)=O
| PubChem CID | 70790 |
|---|---|
| CAS | 1129-30-2 |
| Molecular Weight (g/mol) | 163.18 |
| MDL Number | MFCD00006304 |
| SMILES | CC(=O)C1=CC=CC(=N1)C(C)=O |
| Synonym | 2,6-diacetylpyridine,1,1'-pyridine-2,6-diyl diethanone,1-6-acetylpyridin-2-yl ethanone,pyridine-2,6-diacetyl,2,6-diacetyl pyridine,1-6-acetyl-pyridin-2-yl-ethanone,ethanone, 1,1'-2,6-pyridinediyl bis,1-6-acetylpyridin-2-yl ethan-1-one,2,6diacetylpyridine,pubchem3144 |
| IUPAC Name | 1-(6-acetylpyridin-2-yl)ethanone |
| InChI Key | BEZVGIHGZPLGBL-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO2 |
Poly(vinyl alcohol), 98.0%-98.8% hydrolyzed, M.W. approx. 50,000-85,000
CAS: 9002-89-5 Molecular Formula: (C2H4O)n Molecular Weight (g/mol): 44.05 MDL Number: MFCD00081922 InChI Key: IMROMDMJAWUWLK-UHFFFAOYSA-N Synonym: vinyl alcohol,polyvinyl alcohol,hydroxyethene,hydroxyethylene,ethenol, homopolymer,gohsenol,polyviol,elvanol,mowiol,poval PubChem CID: 11199 IUPAC Name: ethenol SMILES: OC(-*)C-*
| PubChem CID | 11199 |
|---|---|
| CAS | 9002-89-5 |
| Molecular Weight (g/mol) | 44.05 |
| MDL Number | MFCD00081922 |
| SMILES | OC(-*)C-* |
| Synonym | vinyl alcohol,polyvinyl alcohol,hydroxyethene,hydroxyethylene,ethenol, homopolymer,gohsenol,polyviol,elvanol,mowiol,poval |
| IUPAC Name | ethenol |
| InChI Key | IMROMDMJAWUWLK-UHFFFAOYSA-N |
| Molecular Formula | (C2H4O)n |
3-Hydroxybenzaldehyde, 97%
CAS: 100-83-4 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.123 MDL Number: MFCD00003368 InChI Key: IAVREABSGIHHMO-UHFFFAOYSA-N Synonym: m-formylphenol,m-hydroxybenzaldehyde,3-formylphenol,benzaldehyde, 3-hydroxy,meta-hydroxybenzaldehyde,benzaldehyde, m-hydroxy,3-hydroxy-benzaldehyde,3-hydroxy benzaldehyde,3-hydroxybenzaldehyd,3-hydroxylbenzaldehyde PubChem CID: 101 ChEBI: CHEBI:16207 IUPAC Name: 3-hydroxybenzaldehyde SMILES: C1=CC(=CC(=C1)O)C=O
| PubChem CID | 101 |
|---|---|
| CAS | 100-83-4 |
| Molecular Weight (g/mol) | 122.123 |
| ChEBI | CHEBI:16207 |
| MDL Number | MFCD00003368 |
| SMILES | C1=CC(=CC(=C1)O)C=O |
| Synonym | m-formylphenol,m-hydroxybenzaldehyde,3-formylphenol,benzaldehyde, 3-hydroxy,meta-hydroxybenzaldehyde,benzaldehyde, m-hydroxy,3-hydroxy-benzaldehyde,3-hydroxy benzaldehyde,3-hydroxybenzaldehyd,3-hydroxylbenzaldehyde |
| IUPAC Name | 3-hydroxybenzaldehyde |
| InChI Key | IAVREABSGIHHMO-UHFFFAOYSA-N |
| Molecular Formula | C7H6O2 |
Salicylaldehyde 98.0+%, TCI America™
CAS: 90-02-8 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 MDL Number: MFCD00003317 InChI Key: SMQUZDBALVYZAC-UHFFFAOYSA-N Synonym: salicylaldehyde,o-hydroxybenzaldehyde,o-formylphenol,salicylal,2-formylphenol,benzaldehyde, 2-hydroxy,salicylic aldehyde,salicyladehyde,2-hydroxy-benzaldehyde,benzaldehyde, o-hydroxy PubChem CID: 6998 ChEBI: CHEBI:16008 IUPAC Name: 2-hydroxybenzaldehyde SMILES: OC1=CC=CC=C1C=O
| PubChem CID | 6998 |
|---|---|
| CAS | 90-02-8 |
| Molecular Weight (g/mol) | 122.12 |
| ChEBI | CHEBI:16008 |
| MDL Number | MFCD00003317 |
| SMILES | OC1=CC=CC=C1C=O |
| Synonym | salicylaldehyde,o-hydroxybenzaldehyde,o-formylphenol,salicylal,2-formylphenol,benzaldehyde, 2-hydroxy,salicylic aldehyde,salicyladehyde,2-hydroxy-benzaldehyde,benzaldehyde, o-hydroxy |
| IUPAC Name | 2-hydroxybenzaldehyde |
| InChI Key | SMQUZDBALVYZAC-UHFFFAOYSA-N |
| Molecular Formula | C7H6O2 |
Deoxycholic acid, 99%, Thermo Scientific Chemicals
CAS: 83-44-3 Molecular Formula: C24H40O4 Molecular Weight (g/mol): 392.58 MDL Number: MFCD00003673 InChI Key: KXGVEGMKQFWNSR-LLQZFEROSA-N Synonym: deoxycholic acid,deoxycholate,desoxycholic acid,choleic acid,cholerebic,cholorebic,degalol,deoxycholatic acid,droxolan,pyrochol PubChem CID: 222528 ChEBI: CHEBI:28834 IUPAC Name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid SMILES: [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C
| PubChem CID | 222528 |
|---|---|
| CAS | 83-44-3 |
| Molecular Weight (g/mol) | 392.58 |
| ChEBI | CHEBI:28834 |
| MDL Number | MFCD00003673 |
| SMILES | [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C |
| Synonym | deoxycholic acid,deoxycholate,desoxycholic acid,choleic acid,cholerebic,cholorebic,degalol,deoxycholatic acid,droxolan,pyrochol |
| IUPAC Name | (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| InChI Key | KXGVEGMKQFWNSR-LLQZFEROSA-N |
| Molecular Formula | C24H40O4 |
Dihydromyrcenol, 99.1%, MP Biomedicals™
CAS: 18479-58-8 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.269 MDL Number: MFCD00004474 InChI Key: XSNQECSCDATQEL-UHFFFAOYSA-N Synonym: dihydromyrcenol,2,6-dimethyl-7-octen-2-ol,7-octen-2-ol, 2,6-dimethyl,1,1,5-trimethyl-6-heptenol,1-2,6-dimethyloct-7-en-2-ol,dsstox_cid_9317,myrcenol, 6,10-dihydro,dsstox_rid_78761 PubChem CID: 29096 ChEBI: CHEBI:87528 IUPAC Name: 2,6-dimethyloct-7-en-2-ol SMILES: CC(CCCC(C)(C)O)C=C
| PubChem CID | 29096 |
|---|---|
| CAS | 18479-58-8 |
| Molecular Weight (g/mol) | 156.269 |
| ChEBI | CHEBI:87528 |
| MDL Number | MFCD00004474 |
| SMILES | CC(CCCC(C)(C)O)C=C |
| Synonym | dihydromyrcenol,2,6-dimethyl-7-octen-2-ol,7-octen-2-ol, 2,6-dimethyl,1,1,5-trimethyl-6-heptenol,1-2,6-dimethyloct-7-en-2-ol,dsstox_cid_9317,myrcenol, 6,10-dihydro,dsstox_rid_78761 |
| IUPAC Name | 2,6-dimethyloct-7-en-2-ol |
| InChI Key | XSNQECSCDATQEL-UHFFFAOYSA-N |
| Molecular Formula | C10H20O |