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Organic acids and derivatives

Organic compounds with acidic properties, and will commonly have carboxylic acids or similar functional groups in their structure. Derived compounds are also included.
Carboxylic acids and derivatives (26)
Acrylic acids and derivatives (5)
Alpha-halocarboxylic acids and derivatives (3)
Hydroxy acids and derivatives (3)
Organic phosphoric acids and derivatives (3)
Organic phosphonic acids and derivatives (2)
Organic sulfonic acids and derivatives (2)
Orthocarboxylic acid derivatives (2)
Boronic acid derivatives (1)
Organic carbonic acids and derivatives (1)

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1

4-Formylmorpholine 99.0+%, TCI America™

CAS: 4394-85-8 Molecular Formula: C5H9NO2 Molecular Weight (g/mol): 115.132 MDL Number: MFCD00006170 InChI Key: LCEDQNDDFOCWGG-UHFFFAOYSA-N Synonym: 4-formylmorpholine,n-formylmorpholine,4-morpholinecarboxaldehyde,morpholine, 4-formyl,n-formylmorfolin,4-morpholinecarbaldehyde,n-formylmorfolin czech,unii-d1e63xo4rh,n-formyhnorpholine,n-formyl morpholin PubChem CID: 20417 ChEBI: CHEBI:43989 IUPAC Name: morpholine-4-carbaldehyde SMILES: C1COCCN1C=O

PubChem CID 20417
CAS 4394-85-8
Molecular Weight (g/mol) 115.132
ChEBI CHEBI:43989
MDL Number MFCD00006170
SMILES C1COCCN1C=O
Synonym 4-formylmorpholine,n-formylmorpholine,4-morpholinecarboxaldehyde,morpholine, 4-formyl,n-formylmorfolin,4-morpholinecarbaldehyde,n-formylmorfolin czech,unii-d1e63xo4rh,n-formyhnorpholine,n-formyl morpholin
IUPAC Name morpholine-4-carbaldehyde
InChI Key LCEDQNDDFOCWGG-UHFFFAOYSA-N
Molecular Formula C5H9NO2
2

Benzoyl Trifluoromethanesulfonate 98.0+%, TCI America™

CAS: 36967-85-8 Molecular Formula: C8H5F3O4S Molecular Weight (g/mol): 254.18 MDL Number: MFCD17013536 InChI Key: GEZVJNXOBFDIPM-UHFFFAOYSA-N Synonym: Trifluoromethanesulfonic Acid Benzoyl Ester, Benzoyl Triflate PubChem CID: 11064956 IUPAC Name: trifluoromethanesulfonyl benzoate SMILES: FC(F)(F)S(=O)(=O)OC(=O)C1=CC=CC=C1

PubChem CID 11064956
CAS 36967-85-8
Molecular Weight (g/mol) 254.18
MDL Number MFCD17013536
SMILES FC(F)(F)S(=O)(=O)OC(=O)C1=CC=CC=C1
Synonym Trifluoromethanesulfonic Acid Benzoyl Ester, Benzoyl Triflate
IUPAC Name trifluoromethanesulfonyl benzoate
InChI Key GEZVJNXOBFDIPM-UHFFFAOYSA-N
Molecular Formula C8H5F3O4S
3

Isobutyl Isobutyrate 98.0+%, TCI America™

CAS: 97-85-8 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00008916 InChI Key: RXGUIWHIADMCFC-UHFFFAOYSA-N Synonym: isobutyl isobutyrate,isobutyl 2-methylpropanoate,isobutyl isobutanoate,isobutyric acid, isobutyl ester,propanoic acid, 2-methyl-, 2-methylpropyl ester,2-methylpropyl 2-methylpropionate,2-methylpropyl isobutyrate,isobutylester kyseliny isomaselne,fema number 2189,2-methyl-1-propyl 2-methylpropanoate PubChem CID: 7351 IUPAC Name: 2-methylpropyl 2-methylpropanoate SMILES: CC(C)COC(=O)C(C)C

PubChem CID 7351
CAS 97-85-8
Molecular Weight (g/mol) 144.21
MDL Number MFCD00008916
SMILES CC(C)COC(=O)C(C)C
Synonym isobutyl isobutyrate,isobutyl 2-methylpropanoate,isobutyl isobutanoate,isobutyric acid, isobutyl ester,propanoic acid, 2-methyl-, 2-methylpropyl ester,2-methylpropyl 2-methylpropionate,2-methylpropyl isobutyrate,isobutylester kyseliny isomaselne,fema number 2189,2-methyl-1-propyl 2-methylpropanoate
IUPAC Name 2-methylpropyl 2-methylpropanoate
InChI Key RXGUIWHIADMCFC-UHFFFAOYSA-N
Molecular Formula C8H16O2
4

4-Pentenyl Acetate 98.0+%, TCI America™

CAS: 1576-85-8 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00008723 InChI Key: LVHDNIMNOMRZMF-UHFFFAOYSA-N Synonym: 4-pentenyl acetate,4-penten-1-yl acetate,5-acetoxy-1-pentene,unii-v4sif0mabv,pent-4-en-1-yl acetate,pent-4-ene-1-yl acetate,ch3c o o ch2 3ch=ch2,v4sif0mabv,4-penten-1-ol acetate,4-pentenyl acetate # PubChem CID: 74096 ChEBI: CHEBI:87515 IUPAC Name: pent-4-en-1-yl acetate SMILES: CC(=O)OCCCC=C

PubChem CID 74096
CAS 1576-85-8
Molecular Weight (g/mol) 128.17
ChEBI CHEBI:87515
MDL Number MFCD00008723
SMILES CC(=O)OCCCC=C
Synonym 4-pentenyl acetate,4-penten-1-yl acetate,5-acetoxy-1-pentene,unii-v4sif0mabv,pent-4-en-1-yl acetate,pent-4-ene-1-yl acetate,ch3c o o ch2 3ch=ch2,v4sif0mabv,4-penten-1-ol acetate,4-pentenyl acetate #
IUPAC Name pent-4-en-1-yl acetate
InChI Key LVHDNIMNOMRZMF-UHFFFAOYSA-N
Molecular Formula C7H12O2
5
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Quinoline-8-sulfonic acid, 98%

CAS: 85-48-3 Molecular Formula: C9H7NO3S Molecular Weight (g/mol): 209.219 MDL Number: MFCD00024037 InChI Key: SXVRECLPTCOMIA-UHFFFAOYSA-N Synonym: 8-quinolinesulfonic acid,quinoline-8-sulphonic acid,unii-84y9b81o6x,ccris 6936,8-sulfoquinoline,cambridge id 5135395,quinoline-8-sulfonic??acid,ksc242e8p,8-quinolinesulfonic acid;quinoline-8-sulfonic acid PubChem CID: 66561 IUPAC Name: quinoline-8-sulfonic acid SMILES: C1=CC2=C(C(=C1)S(=O)(=O)O)N=CC=C2

PubChem CID 66561
CAS 85-48-3
Molecular Weight (g/mol) 209.219
MDL Number MFCD00024037
SMILES C1=CC2=C(C(=C1)S(=O)(=O)O)N=CC=C2
Synonym 8-quinolinesulfonic acid,quinoline-8-sulphonic acid,unii-84y9b81o6x,ccris 6936,8-sulfoquinoline,cambridge id 5135395,quinoline-8-sulfonic??acid,ksc242e8p,8-quinolinesulfonic acid;quinoline-8-sulfonic acid
IUPAC Name quinoline-8-sulfonic acid
InChI Key SXVRECLPTCOMIA-UHFFFAOYSA-N
Molecular Formula C9H7NO3S
6
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4-Formylmorpholine, 99%

CAS: 4394-85-8 Molecular Formula: C5H9NO2 Molecular Weight (g/mol): 115.132 MDL Number: MFCD00006170 InChI Key: LCEDQNDDFOCWGG-UHFFFAOYSA-N Synonym: 4-formylmorpholine,n-formylmorpholine,4-morpholinecarboxaldehyde,morpholine, 4-formyl,n-formylmorfolin,4-morpholinecarbaldehyde,n-formylmorfolin czech,unii-d1e63xo4rh,n-formyhnorpholine,n-formyl morpholin PubChem CID: 20417 ChEBI: CHEBI:43989 IUPAC Name: morpholine-4-carbaldehyde SMILES: C1COCCN1C=O

PubChem CID 20417
CAS 4394-85-8
Molecular Weight (g/mol) 115.132
ChEBI CHEBI:43989
MDL Number MFCD00006170
SMILES C1COCCN1C=O
Synonym 4-formylmorpholine,n-formylmorpholine,4-morpholinecarboxaldehyde,morpholine, 4-formyl,n-formylmorfolin,4-morpholinecarbaldehyde,n-formylmorfolin czech,unii-d1e63xo4rh,n-formyhnorpholine,n-formyl morpholin
IUPAC Name morpholine-4-carbaldehyde
InChI Key LCEDQNDDFOCWGG-UHFFFAOYSA-N
Molecular Formula C5H9NO2
7

Guanosine-5'-monophosphate, Free acid, ≥98%, MP Biomedicals™

CAS: 85-32-5 Molecular Formula: C10H14N5O8P Molecular Weight (g/mol): 363.223 InChI Key: RQFCJASXJCIDSX-UUOKFMHZSA-N Synonym: 5'-guanylic acid,guanosine monophosphate,guanylic acid,guanosine-5'-monophosphate,guanosine 5'-monophosphate,5'-gmp,guanosine 5'-phosphate,guanylate,guanidine monophosphate,guanosine-phosphate PubChem CID: 6804 ChEBI: CHEBI:17345 IUPAC Name: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate SMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=NC2=O)N

PubChem CID 6804
CAS 85-32-5
Molecular Weight (g/mol) 363.223
ChEBI CHEBI:17345
SMILES C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=NC2=O)N
Synonym 5'-guanylic acid,guanosine monophosphate,guanylic acid,guanosine-5'-monophosphate,guanosine 5'-monophosphate,5'-gmp,guanosine 5'-phosphate,guanylate,guanidine monophosphate,guanosine-phosphate
IUPAC Name [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
InChI Key RQFCJASXJCIDSX-UUOKFMHZSA-N
Molecular Formula C10H14N5O8P
8
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N-Formylmorpholine, 99%

CAS: 4394-85-8 Molecular Formula: C5H9NO2 Molecular Weight (g/mol): 115.13 MDL Number: MFCD00006170 InChI Key: LCEDQNDDFOCWGG-UHFFFAOYSA-N Synonym: 4-formylmorpholine,n-formylmorpholine,4-morpholinecarboxaldehyde,morpholine, 4-formyl,n-formylmorfolin,4-morpholinecarbaldehyde,n-formylmorfolin czech,unii-d1e63xo4rh,n-formyhnorpholine,n-formyl morpholin PubChem CID: 20417 ChEBI: CHEBI:43989 IUPAC Name: morpholine-4-carbaldehyde SMILES: C1COCCN1C=O

PubChem CID 20417
CAS 4394-85-8
Molecular Weight (g/mol) 115.13
ChEBI CHEBI:43989
MDL Number MFCD00006170
SMILES C1COCCN1C=O
Synonym 4-formylmorpholine,n-formylmorpholine,4-morpholinecarboxaldehyde,morpholine, 4-formyl,n-formylmorfolin,4-morpholinecarbaldehyde,n-formylmorfolin czech,unii-d1e63xo4rh,n-formyhnorpholine,n-formyl morpholin
IUPAC Name morpholine-4-carbaldehyde
InChI Key LCEDQNDDFOCWGG-UHFFFAOYSA-N
Molecular Formula C5H9NO2
9
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Methyl 4-bromocrotonate, tech. 85%

CAS: 1117-71-1 Molecular Formula: C5H7BrO2 Molecular Weight (g/mol): 179.01 MDL Number: MFCD00000246,MFCD09998308 InChI Key: RWIKCBHOVNDESJ-NSCUHMNNSA-N Synonym: methyl 4-bromocrotonate,e-methyl 4-bromobut-2-enoate,4-bromocrotonic acid methyl ester,methyl gamma-bromocrotonate,methyl bromocrotonate,methyl 4-bromo-2-butenoate,2-butenoic acid, 4-bromo-, methyl ester,methyl 4-bromobut-2-enoate,methyl 2e-4-bromobut-2-enoate,crotonic acid, 4-bromo-, methyl ester PubChem CID: 5369175 IUPAC Name: methyl (E)-4-bromobut-2-enoate SMILES: COC(=O)\C=C\CBr

PubChem CID 5369175
CAS 1117-71-1
Molecular Weight (g/mol) 179.01
MDL Number MFCD00000246,MFCD09998308
SMILES COC(=O)\C=C\CBr
Synonym methyl 4-bromocrotonate,e-methyl 4-bromobut-2-enoate,4-bromocrotonic acid methyl ester,methyl gamma-bromocrotonate,methyl bromocrotonate,methyl 4-bromo-2-butenoate,2-butenoic acid, 4-bromo-, methyl ester,methyl 4-bromobut-2-enoate,methyl 2e-4-bromobut-2-enoate,crotonic acid, 4-bromo-, methyl ester
IUPAC Name methyl (E)-4-bromobut-2-enoate
InChI Key RWIKCBHOVNDESJ-NSCUHMNNSA-N
Molecular Formula C5H7BrO2
10
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(S)-(-)-2-Bromopropionic acid, 98%, >85% ee

CAS: 32644-15-8 Molecular Formula: C3H5BrO2 Molecular Weight (g/mol): 152.98 MDL Number: MFCD00137325 InChI Key: MONMFXREYOKQTI-REOHCLBHSA-N Synonym: s---2-bromopropionic acid,s-2-bromopropionic acid,2s-2-bromopropanoic acid,s-2-bromopropanoic acid,l-2-bromopropionic acid,s---2-bromopropionicacid,l-alpha-bromopropionic acid,2s---2-bromopropionic acid,s-alpha-bromopropionic acid PubChem CID: 642232 IUPAC Name: (2S)-2-bromopropanoic acid SMILES: CC(C(=O)O)Br

PubChem CID 642232
CAS 32644-15-8
Molecular Weight (g/mol) 152.98
MDL Number MFCD00137325
SMILES CC(C(=O)O)Br
Synonym s---2-bromopropionic acid,s-2-bromopropionic acid,2s-2-bromopropanoic acid,s-2-bromopropanoic acid,l-2-bromopropionic acid,s---2-bromopropionicacid,l-alpha-bromopropionic acid,2s---2-bromopropionic acid,s-alpha-bromopropionic acid
IUPAC Name (2S)-2-bromopropanoic acid
InChI Key MONMFXREYOKQTI-REOHCLBHSA-N
Molecular Formula C3H5BrO2
11

Isopropyl Acetate, Puriss p.a., ≥99.5% (GC), Solstice

CAS: 108-21-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00008877 InChI Key: JMMWKPVZQRWMSS-UHFFFAOYSA-N Synonym: isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester PubChem CID: 7915 IUPAC Name: propan-2-yl acetate SMILES: CC(C)OC(=O)C

PubChem CID 7915
CAS 108-21-4
Molecular Weight (g/mol) 102.133
MDL Number MFCD00008877
SMILES CC(C)OC(=O)C
Synonym isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester
IUPAC Name propan-2-yl acetate
InChI Key JMMWKPVZQRWMSS-UHFFFAOYSA-N
Molecular Formula C5H10O2
12
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Isobutyl isobutyrate, 98%

CAS: 97-85-8 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00008916 InChI Key: RXGUIWHIADMCFC-UHFFFAOYSA-N Synonym: isobutyl isobutyrate,isobutyl 2-methylpropanoate,isobutyl isobutanoate,isobutyric acid, isobutyl ester,propanoic acid, 2-methyl-, 2-methylpropyl ester,2-methylpropyl 2-methylpropionate,2-methylpropyl isobutyrate,isobutylester kyseliny isomaselne,fema number 2189,2-methyl-1-propyl 2-methylpropanoate PubChem CID: 7351 IUPAC Name: 2-methylpropyl 2-methylpropanoate SMILES: CC(C)COC(=O)C(C)C

PubChem CID 7351
CAS 97-85-8
Molecular Weight (g/mol) 144.21
MDL Number MFCD00008916
SMILES CC(C)COC(=O)C(C)C
Synonym isobutyl isobutyrate,isobutyl 2-methylpropanoate,isobutyl isobutanoate,isobutyric acid, isobutyl ester,propanoic acid, 2-methyl-, 2-methylpropyl ester,2-methylpropyl 2-methylpropionate,2-methylpropyl isobutyrate,isobutylester kyseliny isomaselne,fema number 2189,2-methyl-1-propyl 2-methylpropanoate
IUPAC Name 2-methylpropyl 2-methylpropanoate
InChI Key RXGUIWHIADMCFC-UHFFFAOYSA-N
Molecular Formula C8H16O2
13
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2-Methylvaleric acid, 98+%

CAS: 97-61-0 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00002671 InChI Key: OVBFMEVBMNZIBR-UHFFFAOYSA-N Synonym: 2-methylvaleric acid,pentanoic acid, 2-methyl,valeric acid, 2-methyl,methylpropylacetic acid,2-pentanecarboxylic acid,2-methyl valeric acid,alpha-methylvaleric acid,pentanoic acid, methyl,kyselina 2-methylvalerova,fema no. 2754 PubChem CID: 7341 IUPAC Name: 2-methylpentanoic acid SMILES: CCCC(C)C(=O)O

PubChem CID 7341
CAS 97-61-0
Molecular Weight (g/mol) 116.16
MDL Number MFCD00002671
SMILES CCCC(C)C(=O)O
Synonym 2-methylvaleric acid,pentanoic acid, 2-methyl,valeric acid, 2-methyl,methylpropylacetic acid,2-pentanecarboxylic acid,2-methyl valeric acid,alpha-methylvaleric acid,pentanoic acid, methyl,kyselina 2-methylvalerova,fema no. 2754
IUPAC Name 2-methylpentanoic acid
InChI Key OVBFMEVBMNZIBR-UHFFFAOYSA-N
Molecular Formula C6H12O2
14
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3-Methylvaleric acid, 99%

CAS: 105-43-1 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00002729,MFCD02262177 InChI Key: IGIDLTISMCAULB-UHFFFAOYNA-N Synonym: 3-methylvaleric acid,3-methyl-pentanoic acid,pentanoic acid, 3-methyl,3-methyl valeric acid,dl-3-methylvaleric acid,3-methyl pentanoic acid,sec-butylacetic acid,valeric acid, 3-methyl,beta-methylvaleric acid,3-methyl-n-valeric acid PubChem CID: 7755 IUPAC Name: 3-methylpentanoic acid SMILES: CCC(C)CC(O)=O

PubChem CID 7755
CAS 105-43-1
Molecular Weight (g/mol) 116.16
MDL Number MFCD00002729,MFCD02262177
SMILES CCC(C)CC(O)=O
Synonym 3-methylvaleric acid,3-methyl-pentanoic acid,pentanoic acid, 3-methyl,3-methyl valeric acid,dl-3-methylvaleric acid,3-methyl pentanoic acid,sec-butylacetic acid,valeric acid, 3-methyl,beta-methylvaleric acid,3-methyl-n-valeric acid
IUPAC Name 3-methylpentanoic acid
InChI Key IGIDLTISMCAULB-UHFFFAOYNA-N
Molecular Formula C6H12O2
15
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N,N-Dimethylformamide dineopentyl acetal, 98%

CAS: 4909-78-8 Molecular Formula: C13H30NO2 Molecular Weight (g/mol): 232.39 MDL Number: MFCD00008851 InChI Key: KEXFRBIOHPDZQM-UHFFFAOYSA-O Synonym: n,n-dimethylformamide dineopentyl acetal,methanamine, 1,1-bis 2,2-dimethylpropoxy-n,n-dimethyl,n,n-dimethyl-1,1-bis neopentyloxy methanamine,dimethylformamide dineopentyl acetal,1,1-bis 2,2-dimethylpropoxy-n,n-dimethylmethanamine,bis 2,2-dimethylpropoxy methyl dimethylamine,acmc-1al8s,1,1-bis 2,2-dimethylpropoxy-n,n,n-trimethylamine,1,1-dineopentyloxytrimethylamine,dimethylformamide dineopentylacetal PubChem CID: 78623 IUPAC Name: 1,1-bis(2,2-dimethylpropoxy)-N,N-dimethylmethanamine SMILES: C[NH+](C)C(OCC(C)(C)C)OCC(C)(C)C

PubChem CID 78623
CAS 4909-78-8
Molecular Weight (g/mol) 232.39
MDL Number MFCD00008851
SMILES C[NH+](C)C(OCC(C)(C)C)OCC(C)(C)C
Synonym n,n-dimethylformamide dineopentyl acetal,methanamine, 1,1-bis 2,2-dimethylpropoxy-n,n-dimethyl,n,n-dimethyl-1,1-bis neopentyloxy methanamine,dimethylformamide dineopentyl acetal,1,1-bis 2,2-dimethylpropoxy-n,n-dimethylmethanamine,bis 2,2-dimethylpropoxy methyl dimethylamine,acmc-1al8s,1,1-bis 2,2-dimethylpropoxy-n,n,n-trimethylamine,1,1-dineopentyloxytrimethylamine,dimethylformamide dineopentylacetal
IUPAC Name 1,1-bis(2,2-dimethylpropoxy)-N,N-dimethylmethanamine
InChI Key KEXFRBIOHPDZQM-UHFFFAOYSA-O
Molecular Formula C13H30NO2