
Organooxygen compounds
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4-Phenyl-3-butyn-2-one, 96%
CAS: 1817-57-8 Molecular Formula: C10H8O Molecular Weight (g/mol): 144.173 MDL Number: MFCD00008776 InChI Key: UPEUQDJSUFHFQP-UHFFFAOYSA-N Synonym: 4-phenyl-3-butyn-2-one,3-butyn-2-one, 4-phenyl,1-phenyl-1-butyn-3-one,phenylbutynone,acetylphenyl-acetylene,acmc-1boyr,4-phenyl-3-butyn-2-on,4-phenyl-3-batyu-2-one,4-phenyl-3-butyn-2-0ne,4-phenyl-but-3-yn-2-one PubChem CID: 74555 ChEBI: CHEBI:51731 IUPAC Name: 4-phenylbut-3-yn-2-one SMILES: CC(=O)C#CC1=CC=CC=C1
PubChem CID | 74555 |
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CAS | 1817-57-8 |
Molecular Weight (g/mol) | 144.173 |
ChEBI | CHEBI:51731 |
MDL Number | MFCD00008776 |
SMILES | CC(=O)C#CC1=CC=CC=C1 |
Synonym | 4-phenyl-3-butyn-2-one,3-butyn-2-one, 4-phenyl,1-phenyl-1-butyn-3-one,phenylbutynone,acetylphenyl-acetylene,acmc-1boyr,4-phenyl-3-butyn-2-on,4-phenyl-3-batyu-2-one,4-phenyl-3-butyn-2-0ne,4-phenyl-but-3-yn-2-one |
IUPAC Name | 4-phenylbut-3-yn-2-one |
InChI Key | UPEUQDJSUFHFQP-UHFFFAOYSA-N |
Molecular Formula | C10H8O |
2,6-Dimethoxynaphthalene, 99%
CAS: 5486-55-5 Molecular Formula: C12H12O2 Molecular Weight (g/mol): 188.23 MDL Number: MFCD00004063 InChI Key: AHKDVDYNDXGFPP-UHFFFAOYSA-N Synonym: naphthalene, 2,6-dimethoxy,2,6-dimethoxy-naphthalene,2,6-dimethoxy naphthalene,pubchem22734,naphthalene,6-dimethoxy,acmc-1ap1a,2,6-dimethoxynaphthalene PubChem CID: 79627 IUPAC Name: 2,6-dimethoxynaphthalene SMILES: COC1=CC2=CC=C(OC)C=C2C=C1
PubChem CID | 79627 |
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CAS | 5486-55-5 |
Molecular Weight (g/mol) | 188.23 |
MDL Number | MFCD00004063 |
SMILES | COC1=CC2=CC=C(OC)C=C2C=C1 |
Synonym | naphthalene, 2,6-dimethoxy,2,6-dimethoxy-naphthalene,2,6-dimethoxy naphthalene,pubchem22734,naphthalene,6-dimethoxy,acmc-1ap1a,2,6-dimethoxynaphthalene |
IUPAC Name | 2,6-dimethoxynaphthalene |
InChI Key | AHKDVDYNDXGFPP-UHFFFAOYSA-N |
Molecular Formula | C12H12O2 |
2-Acetyl-4-chlorothiophene, 98+%
CAS: 34730-20-6 Molecular Formula: C6H5ClOS Molecular Weight (g/mol): 160.62 MDL Number: MFCD00082791 InChI Key: FKESGQASARHBDC-UHFFFAOYSA-N PubChem CID: 11105655 IUPAC Name: 1-(4-chlorothiophen-2-yl)ethanone SMILES: CC(=O)C1=CC(Cl)=CS1
PubChem CID | 11105655 |
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CAS | 34730-20-6 |
Molecular Weight (g/mol) | 160.62 |
MDL Number | MFCD00082791 |
SMILES | CC(=O)C1=CC(Cl)=CS1 |
IUPAC Name | 1-(4-chlorothiophen-2-yl)ethanone |
InChI Key | FKESGQASARHBDC-UHFFFAOYSA-N |
Molecular Formula | C6H5ClOS |
2-Bromo-6-methoxypyridine, 97%
CAS: 40473-07-2 Molecular Formula: C6H6BrNO Molecular Weight (g/mol): 188.02 MDL Number: MFCD00088345 InChI Key: KMODISUYWZPVGV-UHFFFAOYSA-N Synonym: 2-bromo-6-methoxy-pyridine,pyridine, 2-bromo-6-methoxy,6-bromo-2-methoxypyridine,2-methoxy-6-bromo pyridine,buttpark 82\06-06,2-brom-6-methoxypyridin,zlchem 781,pubchem9206,acmc-209jec,2-bromo-6-methoxy-pyridin PubChem CID: 256810 IUPAC Name: 2-bromo-6-methoxypyridine SMILES: COC1=CC=CC(Br)=N1
PubChem CID | 256810 |
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CAS | 40473-07-2 |
Molecular Weight (g/mol) | 188.02 |
MDL Number | MFCD00088345 |
SMILES | COC1=CC=CC(Br)=N1 |
Synonym | 2-bromo-6-methoxy-pyridine,pyridine, 2-bromo-6-methoxy,6-bromo-2-methoxypyridine,2-methoxy-6-bromo pyridine,buttpark 82\06-06,2-brom-6-methoxypyridin,zlchem 781,pubchem9206,acmc-209jec,2-bromo-6-methoxy-pyridin |
IUPAC Name | 2-bromo-6-methoxypyridine |
InChI Key | KMODISUYWZPVGV-UHFFFAOYSA-N |
Molecular Formula | C6H6BrNO |
2,6-Difluoro-4-hydroxybenzaldehyde, 95%
CAS: 532967-21-8 Molecular Formula: C7H4F2O2 Molecular Weight (g/mol): 158.104 MDL Number: MFCD07772042 InChI Key: ROAQMGJHSNIROA-UHFFFAOYSA-N Synonym: 2,6-difluoro-4-hydroxy-benzaldehyde,benzaldehyde, 2,6-difluoro-4-hydroxy,ksc495q9f,3,5-difluoro-4-formylphenol,4-hydroxy-2,6-difluorobenzaldehyde,2,6-difluoro-4-hydroxy benzaldehyde,2,6-bis fluoranyl-4-oxidanyl-benzaldehyde,benzaldehyde, 2,6-difluoro-4-hydroxy-9ci PubChem CID: 24903548 IUPAC Name: 2,6-difluoro-4-hydroxybenzaldehyde SMILES: C1=C(C=C(C(=C1F)C=O)F)O
PubChem CID | 24903548 |
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CAS | 532967-21-8 |
Molecular Weight (g/mol) | 158.104 |
MDL Number | MFCD07772042 |
SMILES | C1=C(C=C(C(=C1F)C=O)F)O |
Synonym | 2,6-difluoro-4-hydroxy-benzaldehyde,benzaldehyde, 2,6-difluoro-4-hydroxy,ksc495q9f,3,5-difluoro-4-formylphenol,4-hydroxy-2,6-difluorobenzaldehyde,2,6-difluoro-4-hydroxy benzaldehyde,2,6-bis fluoranyl-4-oxidanyl-benzaldehyde,benzaldehyde, 2,6-difluoro-4-hydroxy-9ci |
IUPAC Name | 2,6-difluoro-4-hydroxybenzaldehyde |
InChI Key | ROAQMGJHSNIROA-UHFFFAOYSA-N |
Molecular Formula | C7H4F2O2 |
2,2-Difluorocyclopropanemethanol, 97%
CAS: 509072-57-5 Molecular Formula: C4H6F2O Molecular Weight (g/mol): 108.088 MDL Number: MFCD06797748 InChI Key: XOLSMTBBIZDHSG-UHFFFAOYSA-N Synonym: 2,2-difluorocyclopropyl methanol,2,2-difluorocyclopropanemethanol,2,2-difluorocyclopropyl-methanol, 97+%,soqdfiarbswxuup@,2,2-difluoro-cyclopropanemethanol,2,2-difluorocyclopropyl-methanol,2,2-difluoro-cyclopropyl-methanol,cyclopropanemethanol, 2,2-difluoro PubChem CID: 2761401 IUPAC Name: (2,2-difluorocyclopropyl)methanol SMILES: C1C(C1(F)F)CO
PubChem CID | 2761401 |
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CAS | 509072-57-5 |
Molecular Weight (g/mol) | 108.088 |
MDL Number | MFCD06797748 |
SMILES | C1C(C1(F)F)CO |
Synonym | 2,2-difluorocyclopropyl methanol,2,2-difluorocyclopropanemethanol,2,2-difluorocyclopropyl-methanol, 97+%,soqdfiarbswxuup@,2,2-difluoro-cyclopropanemethanol,2,2-difluorocyclopropyl-methanol,2,2-difluoro-cyclopropyl-methanol,cyclopropanemethanol, 2,2-difluoro |
IUPAC Name | (2,2-difluorocyclopropyl)methanol |
InChI Key | XOLSMTBBIZDHSG-UHFFFAOYSA-N |
Molecular Formula | C4H6F2O |
2-Ethyl-4-methyl-1,3-dioxolane, cis + trans, 99%
CAS: 4359-46-0 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD16622267 InChI Key: CSZCLQLJVFLXLI-UHFFFAOYSA-N Synonym: 1,3-dioxolane, 2-ethyl-4-methyl,1,3-dioxolane,2-ethyl-4-methyl,cis,1,2-propanediol acetal,1,3-dioxolane, 2-ethyl-4-methyl-, cis,cis-2-thyl-4-methyl-1,3-dioxolane,2-ethyl-4-methyl-1,3-dioxolane, cis + trans,solution in acetonitrile 1000mg/l PubChem CID: 92210 IUPAC Name: 2-ethyl-4-methyl-1,3-dioxolane SMILES: CCC1OCC(O1)C
PubChem CID | 92210 |
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CAS | 4359-46-0 |
Molecular Weight (g/mol) | 116.16 |
MDL Number | MFCD16622267 |
SMILES | CCC1OCC(O1)C |
Synonym | 1,3-dioxolane, 2-ethyl-4-methyl,1,3-dioxolane,2-ethyl-4-methyl,cis,1,2-propanediol acetal,1,3-dioxolane, 2-ethyl-4-methyl-, cis,cis-2-thyl-4-methyl-1,3-dioxolane,2-ethyl-4-methyl-1,3-dioxolane, cis + trans,solution in acetonitrile 1000mg/l |
IUPAC Name | 2-ethyl-4-methyl-1,3-dioxolane |
InChI Key | CSZCLQLJVFLXLI-UHFFFAOYSA-N |
Molecular Formula | C6H12O2 |
4-(Bromoacetyl)pyridine hydrobromide, 98%
CAS: 5349-17-7 Molecular Formula: C7H7Br2NO Molecular Weight (g/mol): 280.947 MDL Number: MFCD02681893 InChI Key: RGALBQILADNMKA-UHFFFAOYSA-N Synonym: 4-bromoacetyl pyridine hydrobromide,2-bromo-1-pyridin-4-yl ethanone hydrobromide,2-bromo-1-4-pyridinyl-1-ethanone hydrobromide,2-bromo-1-pyridin-4-yl ethan-1-one hydrobromide,ethanone, 2-bromo-1-4-pyridinyl-, hydrobromide,4-2-bromoacetyl pyridine hydrobromide,4-bromoacetylpyridine hydrobromide,2-bromo-1-pyrdin-4-ylethan-1-one hydrobromide,2-bromo-1-4-pyridinyl-1-ethanone hbr,4-bromoacetyl pyridine hbr PubChem CID: 2776239 IUPAC Name: 2-bromo-1-pyridin-4-ylethanone;hydrobromide SMILES: C1=CN=CC=C1C(=O)CBr.Br
PubChem CID | 2776239 |
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CAS | 5349-17-7 |
Molecular Weight (g/mol) | 280.947 |
MDL Number | MFCD02681893 |
SMILES | C1=CN=CC=C1C(=O)CBr.Br |
Synonym | 4-bromoacetyl pyridine hydrobromide,2-bromo-1-pyridin-4-yl ethanone hydrobromide,2-bromo-1-4-pyridinyl-1-ethanone hydrobromide,2-bromo-1-pyridin-4-yl ethan-1-one hydrobromide,ethanone, 2-bromo-1-4-pyridinyl-, hydrobromide,4-2-bromoacetyl pyridine hydrobromide,4-bromoacetylpyridine hydrobromide,2-bromo-1-pyrdin-4-ylethan-1-one hydrobromide,2-bromo-1-4-pyridinyl-1-ethanone hbr,4-bromoacetyl pyridine hbr |
IUPAC Name | 2-bromo-1-pyridin-4-ylethanone;hydrobromide |
InChI Key | RGALBQILADNMKA-UHFFFAOYSA-N |
Molecular Formula | C7H7Br2NO |
4-Acetylbenzenesulfonamide, 97%
CAS: 1565-17-9 Molecular Formula: C8H9NO3S Molecular Weight (g/mol): 199.22 MDL Number: MFCD00792524 InChI Key: CSATVXJBGFVJES-UHFFFAOYSA-N Synonym: 4-acetylbenzenesulphonamide,p-acetylbenzenesulfonamide,4-acetyl-benzenesulfonamide,4-acetylbenzene-1-sulfonamide,benzenesulfonamide, 4-acetyl,p-acetobenzenesulfonamide,benzenesulfonamide, p-acetyl-6ci,7ci,8ci,4-acetyl-benzenesulfonamid,p-acetylbenzene sulfonamide,# PubChem CID: 74065 IUPAC Name: 4-acetylbenzenesulfonamide SMILES: CC(=O)C1=CC=C(C=C1)S(N)(=O)=O
PubChem CID | 74065 |
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CAS | 1565-17-9 |
Molecular Weight (g/mol) | 199.22 |
MDL Number | MFCD00792524 |
SMILES | CC(=O)C1=CC=C(C=C1)S(N)(=O)=O |
Synonym | 4-acetylbenzenesulphonamide,p-acetylbenzenesulfonamide,4-acetyl-benzenesulfonamide,4-acetylbenzene-1-sulfonamide,benzenesulfonamide, 4-acetyl,p-acetobenzenesulfonamide,benzenesulfonamide, p-acetyl-6ci,7ci,8ci,4-acetyl-benzenesulfonamid,p-acetylbenzene sulfonamide,# |
IUPAC Name | 4-acetylbenzenesulfonamide |
InChI Key | CSATVXJBGFVJES-UHFFFAOYSA-N |
Molecular Formula | C8H9NO3S |
1-Acetyl-4-(2',4'-difluorobenzoyl)piperidine, 96%
CAS: 84162-82-3 Molecular Formula: C14H15F2NO2 Molecular Weight (g/mol): 267.276 MDL Number: MFCD00179440 InChI Key: UGPWQEIGJWVJDR-UHFFFAOYSA-N Synonym: 4-2',4'-difluorobenzoyl-1-acetylpiperidine,1-4-2,4-difluorobenzoyl piperidin-1-yl ethanone,1-acetylpiperidin-4-yl 2,4-difluorophenyl methanone,1-acetyl-4-2,4-difluorobenzoyl piperidine,1-4-2,4-difluoro-benzoyl-piperidin-1-yl-ethanone,1-acetyl-4-2',4'-difluorobenzoyl piperidine,1-4-2,4-difluorobenzoyl-1-piperidinyl-1-ethanone,1-4-2.4-difluoro-benzoyl-piperidin-1-yl-ethanone,maybridge3_006593 PubChem CID: 2740707 IUPAC Name: 1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethanone SMILES: CC(=O)N1CCC(CC1)C(=O)C2=C(C=C(C=C2)F)F
PubChem CID | 2740707 |
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CAS | 84162-82-3 |
Molecular Weight (g/mol) | 267.276 |
MDL Number | MFCD00179440 |
SMILES | CC(=O)N1CCC(CC1)C(=O)C2=C(C=C(C=C2)F)F |
Synonym | 4-2',4'-difluorobenzoyl-1-acetylpiperidine,1-4-2,4-difluorobenzoyl piperidin-1-yl ethanone,1-acetylpiperidin-4-yl 2,4-difluorophenyl methanone,1-acetyl-4-2,4-difluorobenzoyl piperidine,1-4-2,4-difluoro-benzoyl-piperidin-1-yl-ethanone,1-acetyl-4-2',4'-difluorobenzoyl piperidine,1-4-2,4-difluorobenzoyl-1-piperidinyl-1-ethanone,1-4-2.4-difluoro-benzoyl-piperidin-1-yl-ethanone,maybridge3_006593 |
IUPAC Name | 1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethanone |
InChI Key | UGPWQEIGJWVJDR-UHFFFAOYSA-N |
Molecular Formula | C14H15F2NO2 |
2-Acetylfuran, 99%
CAS: 1192-62-7 Molecular Formula: C6H6O2 Molecular Weight (g/mol): 110.112 MDL Number: MFCD00003242 InChI Key: IEMMBWWQXVXBEU-UHFFFAOYSA-N Synonym: 2-acetylfuran,acetylfuran,1-furan-2-yl ethanone,2-furyl methyl ketone,methyl 2-furyl ketone,1-2-furyl ethanone,2-furylethanone,2-acetyl furan,ketone, 2-furyl methyl,ethanone, 1-2-furanyl PubChem CID: 14505 ChEBI: CHEBI:59983 IUPAC Name: 1-(furan-2-yl)ethanone SMILES: CC(=O)C1=CC=CO1
PubChem CID | 14505 |
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CAS | 1192-62-7 |
Molecular Weight (g/mol) | 110.112 |
ChEBI | CHEBI:59983 |
MDL Number | MFCD00003242 |
SMILES | CC(=O)C1=CC=CO1 |
Synonym | 2-acetylfuran,acetylfuran,1-furan-2-yl ethanone,2-furyl methyl ketone,methyl 2-furyl ketone,1-2-furyl ethanone,2-furylethanone,2-acetyl furan,ketone, 2-furyl methyl,ethanone, 1-2-furanyl |
IUPAC Name | 1-(furan-2-yl)ethanone |
InChI Key | IEMMBWWQXVXBEU-UHFFFAOYSA-N |
Molecular Formula | C6H6O2 |
1-Bromo-3,3,3-trifluoroacetone, 97%
CAS: 431-35-6 Molecular Formula: C3H2BrF3O Molecular Weight (g/mol): 190.95 MDL Number: MFCD00039237 InChI Key: ONZQYZKCUHFORE-UHFFFAOYSA-N Synonym: 3-bromo-1,1,1-trifluoroacetone,1-bromo-3,3,3-trifluoroacetone,bromotrifluoroacetone,3-bromo-1,1,1-trifluoro-2-propanone,3-bromo-1,1,1-trifluoropropanone,1-bromo-3,3,3-trifluoro-2-propanone,2-propanone, 3-bromo-1,1,1-trifluoro,1,1,1-trifluoro-3-bromopropanone,3-bromo-1,1,1-trifluoro-propan-2-one,bromotrifloroacetone PubChem CID: 79008 IUPAC Name: 3-bromo-1,1,1-trifluoropropan-2-one SMILES: FC(F)(F)C(=O)CBr
PubChem CID | 79008 |
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CAS | 431-35-6 |
Molecular Weight (g/mol) | 190.95 |
MDL Number | MFCD00039237 |
SMILES | FC(F)(F)C(=O)CBr |
Synonym | 3-bromo-1,1,1-trifluoroacetone,1-bromo-3,3,3-trifluoroacetone,bromotrifluoroacetone,3-bromo-1,1,1-trifluoro-2-propanone,3-bromo-1,1,1-trifluoropropanone,1-bromo-3,3,3-trifluoro-2-propanone,2-propanone, 3-bromo-1,1,1-trifluoro,1,1,1-trifluoro-3-bromopropanone,3-bromo-1,1,1-trifluoro-propan-2-one,bromotrifloroacetone |
IUPAC Name | 3-bromo-1,1,1-trifluoropropan-2-one |
InChI Key | ONZQYZKCUHFORE-UHFFFAOYSA-N |
Molecular Formula | C3H2BrF3O |
2-Pyridinemethanol, 98+%
CAS: 586-98-1 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.128 MDL Number: MFCD00006348 InChI Key: SHNUBALDGXWUJI-UHFFFAOYSA-N Synonym: 2-pyridinemethanol,2-hydroxymethyl pyridine,piconol,2-pyridinylmethanol,2-pyridylmethanol,2-pyridylcarbinol,pyridine-2-methanol,pyridine-2-carbinol,alpha-picolyl alcohol,pyridin-2-yl methanol PubChem CID: 11474 IUPAC Name: pyridin-2-ylmethanol SMILES: C1=CC=NC(=C1)CO
PubChem CID | 11474 |
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CAS | 586-98-1 |
Molecular Weight (g/mol) | 109.128 |
MDL Number | MFCD00006348 |
SMILES | C1=CC=NC(=C1)CO |
Synonym | 2-pyridinemethanol,2-hydroxymethyl pyridine,piconol,2-pyridinylmethanol,2-pyridylmethanol,2-pyridylcarbinol,pyridine-2-methanol,pyridine-2-carbinol,alpha-picolyl alcohol,pyridin-2-yl methanol |
IUPAC Name | pyridin-2-ylmethanol |
InChI Key | SHNUBALDGXWUJI-UHFFFAOYSA-N |
Molecular Formula | C6H7NO |
4'-Hydroxypropiophenone, 99%
CAS: 70-70-2 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00002361 InChI Key: RARSHUDCJQSEFJ-UHFFFAOYSA-N Synonym: 4'-hydroxypropiophenone,paroxypropione,4-hydroxypropiophenone,1-4-hydroxyphenyl propan-1-one,mepal,paroxypropion,frenantol,frenohypon,p-hydroxypropiophenone,proxiphenon PubChem CID: 6271 ChEBI: CHEBI:32352 IUPAC Name: 1-(4-hydroxyphenyl)propan-1-one SMILES: CCC(=O)C1=CC=C(C=C1)O
PubChem CID | 6271 |
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CAS | 70-70-2 |
Molecular Weight (g/mol) | 150.177 |
ChEBI | CHEBI:32352 |
MDL Number | MFCD00002361 |
SMILES | CCC(=O)C1=CC=C(C=C1)O |
Synonym | 4'-hydroxypropiophenone,paroxypropione,4-hydroxypropiophenone,1-4-hydroxyphenyl propan-1-one,mepal,paroxypropion,frenantol,frenohypon,p-hydroxypropiophenone,proxiphenon |
IUPAC Name | 1-(4-hydroxyphenyl)propan-1-one |
InChI Key | RARSHUDCJQSEFJ-UHFFFAOYSA-N |
Molecular Formula | C9H10O2 |
Cyclopentanol, 99%
CAS: 96-41-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.134 MDL Number: MFCD00001363 InChI Key: XCIXKGXIYUWCLL-UHFFFAOYSA-N Synonym: hydroxycyclopentane,cyclopentyl alcohol,1-cyclopentanol,unii-1l43q07tbu,dsstox_cid_13371,dsstox_rid_79066,dsstox_gsid_33371,cydopentanol,1-hydroxycyclopentyl,1-cyclopentyl alcohol PubChem CID: 7298 ChEBI: CHEBI:16133 IUPAC Name: cyclopentanol SMILES: C1CCC(C1)O
PubChem CID | 7298 |
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CAS | 96-41-3 |
Molecular Weight (g/mol) | 86.134 |
ChEBI | CHEBI:16133 |
MDL Number | MFCD00001363 |
SMILES | C1CCC(C1)O |
Synonym | hydroxycyclopentane,cyclopentyl alcohol,1-cyclopentanol,unii-1l43q07tbu,dsstox_cid_13371,dsstox_rid_79066,dsstox_gsid_33371,cydopentanol,1-hydroxycyclopentyl,1-cyclopentyl alcohol |
IUPAC Name | cyclopentanol |
InChI Key | XCIXKGXIYUWCLL-UHFFFAOYSA-N |
Molecular Formula | C5H10O |