Carboxylic acids and derivatives

Organic compounds that contain a carboxyl group bonded to an organic functional group; carboxyl groups consist of a carbonyl group bonded to a hydroxy group. Includes compounds that are derived from carboxylic acids.

1,171 – 1,185 of 6,778 results

1,171

Propyl propionate, 98+%

CAS: 106-36-5 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009373 InChI Key: MCSINKKTEDDPNK-UHFFFAOYSA-N Synonym: propyl propionate,n-propyl propionate,propanoic acid, propyl ester,n-propyl propanoate,propionic acid, propyl ester,n-propyl n-propionate,propylester kyseliny propionove,unii-g09trv00gk,propyl propionate natural,propionic acid n-propyl ester PubChem CID: 7803 IUPAC Name: propyl propanoate SMILES: CCCOC(=O)CC

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Specifications

PubChem CID	7803
CAS	106-36-5
Molecular Weight (g/mol)	116.16
MDL Number	MFCD00009373
SMILES	CCCOC(=O)CC
Synonym	propyl propionate,n-propyl propionate,propanoic acid, propyl ester,n-propyl propanoate,propionic acid, propyl ester,n-propyl n-propionate,propylester kyseliny propionove,unii-g09trv00gk,propyl propionate natural,propionic acid n-propyl ester
IUPAC Name	propyl propanoate
InChI Key	MCSINKKTEDDPNK-UHFFFAOYSA-N
Molecular Formula	C6H12O2

1,172

2,2,2-Trifluoroacetamide, 97%

CAS: 354-38-1 Molecular Formula: C2H2F3NO Molecular Weight (g/mol): 113.04 MDL Number: MFCD00008008 InChI Key: NRKYWOKHZRQRJR-UHFFFAOYSA-N Synonym: trifluoroacetamide,acetamide, 2,2,2-trifluoro,unii-36mu16byfk,n-trifluoroacetamide,2,2,2-trifluoro-acetamide,36mu16byfk,trifluroacetamide,trifluoro-acetamide,snylgqhjptadtaetp@,pubchem12622 PubChem CID: 67717 IUPAC Name: 2,2,2-trifluoroacetamide SMILES: NC(=O)C(F)(F)F

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Specifications

PubChem CID	67717
CAS	354-38-1
Molecular Weight (g/mol)	113.04
MDL Number	MFCD00008008
SMILES	NC(=O)C(F)(F)F
Synonym	trifluoroacetamide,acetamide, 2,2,2-trifluoro,unii-36mu16byfk,n-trifluoroacetamide,2,2,2-trifluoro-acetamide,36mu16byfk,trifluroacetamide,trifluoro-acetamide,snylgqhjptadtaetp@,pubchem12622
IUPAC Name	2,2,2-trifluoroacetamide
InChI Key	NRKYWOKHZRQRJR-UHFFFAOYSA-N
Molecular Formula	C2H2F3NO

1,173

1,2,3,4-Butanetetracarboxylic acid, 99+%

CAS: 1703-58-8 Molecular Formula: C₈H₁₀O₈ Molecular Weight (g/mol): 234.16 MDL Number: MFCD00002722 InChI Key: GGAUUQHSCNMCAU-UHFFFAOYSA-N Synonym: 1,2,3,4-butanetetracarboxylic acid,butanetetracarboxylic acid,dsstox_cid_4670,dsstox_rid_77494,dsstox_gsid_24670,1,2,3,4-butanetetracarboxylic,meso-1,2,3,4-butanetetracarboxylic acid,acmc-20abw3,ksc176c1b,ggauuqhscnmcau-uhfffaoysa PubChem CID: 15560 IUPAC Name: butane-1,2,3,4-tetracarboxylic acid SMILES: C(C(C(CC(=O)O)C(=O)O)C(=O)O)C(=O)O

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Specifications

PubChem CID	15560
CAS	1703-58-8
Molecular Weight (g/mol)	234.16
MDL Number	MFCD00002722
SMILES	C(C(C(CC(=O)O)C(=O)O)C(=O)O)C(=O)O
Synonym	1,2,3,4-butanetetracarboxylic acid,butanetetracarboxylic acid,dsstox_cid_4670,dsstox_rid_77494,dsstox_gsid_24670,1,2,3,4-butanetetracarboxylic,meso-1,2,3,4-butanetetracarboxylic acid,acmc-20abw3,ksc176c1b,ggauuqhscnmcau-uhfffaoysa
IUPAC Name	butane-1,2,3,4-tetracarboxylic acid
InChI Key	GGAUUQHSCNMCAU-UHFFFAOYSA-N
Molecular Formula	C₈H₁₀O₈

1,174

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 IUPAC Name: 2,3-dihydropyran-6-one SMILES: O=C1CC=CCO1

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Specifications

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
IUPAC Name	2,3-dihydropyran-6-one
InChI Key	VREFDQNWPNDZEX-UHFFFAOYSA-N
Molecular Formula	C5H6O2

1,175

(+)-N,N'-Dibenzyl-L-tartaric diamide, 99%, 99% e.e., Thermo Scientific™

CAS: 88393-56-0 Molecular Formula: C18H20N2O4 Molecular Weight (g/mol): 328.37 MDL Number: MFCD00064478 InChI Key: BBYSAHVLSFBCMN-MNSHXRSINA-N Synonym: 2r,3r-n1,n4-dibenzyl-2,3-dihydroxysuccinamide,2r,3r-n,n'-dibenzyl-2,3-dihydroxysuccinamide,dibenzyl tartramide,n,n'-dibenzyl-l-tartramide,+-n,n-dibenzyl-l-tartaric diamide,+-n,n'-dibenzyl-l-tartaric diamide,2r,3r-n,n'-dibenzyl-2,3-dihydroxybutanediamide,n,n inverted exclamation marka-dibenzyl-l-tartramide,+-n,n inverted exclamation marka-dibenzyl-l-tartaric diamide PubChem CID: 7271811 IUPAC Name: (2R,3R)-N,N'-dibenzyl-2,3-dihydroxybutanediamide SMILES: O[C@H]([C@@H](O)C(=O)NCC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1

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Specifications

PubChem CID	7271811
CAS	88393-56-0
Molecular Weight (g/mol)	328.37
MDL Number	MFCD00064478
SMILES	O[C@H]([C@@H](O)C(=O)NCC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1
Synonym	2r,3r-n1,n4-dibenzyl-2,3-dihydroxysuccinamide,2r,3r-n,n'-dibenzyl-2,3-dihydroxysuccinamide,dibenzyl tartramide,n,n'-dibenzyl-l-tartramide,+-n,n-dibenzyl-l-tartaric diamide,+-n,n'-dibenzyl-l-tartaric diamide,2r,3r-n,n'-dibenzyl-2,3-dihydroxybutanediamide,n,n inverted exclamation marka-dibenzyl-l-tartramide,+-n,n inverted exclamation marka-dibenzyl-l-tartaric diamide
IUPAC Name	(2R,3R)-N,N'-dibenzyl-2,3-dihydroxybutanediamide
InChI Key	BBYSAHVLSFBCMN-MNSHXRSINA-N
Molecular Formula	C18H20N2O4

1,176

L-Dihydroorotic acid, 99%

CAS: 5988-19-2 Molecular Formula: C₅H₆N₂O₄ Molecular Weight (g/mol): 158.11 InChI Key: UFIVEPVSAGBUSI-REOHCLBHSA-N Synonym: l-dihydroorotic acid,s-2,6-dioxohexahydropyrimidine-4-carboxylic acid,l-dihydroorotate,dihydro-l-orotic acid,s-dihydroorotic acid,l-hydroorotic acid,s-dihydroorotate,hydroorotic acid, l,4s-2,6-dioxo-1,3-diazinane-4-carboxylic acid,s-4,5-dihydroorotate PubChem CID: 439216 ChEBI: CHEBI:17025 IUPAC Name: (4S)-2,6-dioxo-1,3-diazinane-4-carboxylic acid SMILES: C1C(NC(=O)NC1=O)C(=O)O

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Specifications

PubChem CID	439216
CAS	5988-19-2
Molecular Weight (g/mol)	158.11
ChEBI	CHEBI:17025
SMILES	C1C(NC(=O)NC1=O)C(=O)O
Synonym	l-dihydroorotic acid,s-2,6-dioxohexahydropyrimidine-4-carboxylic acid,l-dihydroorotate,dihydro-l-orotic acid,s-dihydroorotic acid,l-hydroorotic acid,s-dihydroorotate,hydroorotic acid, l,4s-2,6-dioxo-1,3-diazinane-4-carboxylic acid,s-4,5-dihydroorotate
IUPAC Name	(4S)-2,6-dioxo-1,3-diazinane-4-carboxylic acid
InChI Key	UFIVEPVSAGBUSI-REOHCLBHSA-N
Molecular Formula	C₅H₆N₂O₄

1,177

Ethylenediaminetetraacetic Acid, Honeywell Fluka™

CAS: 60-00-4 Molecular Formula: C10H16N2O8 Molecular Weight (g/mol): 292.24 MDL Number: MFCD00003541 InChI Key: KCXVZYZYPLLWCC-UHFFFAOYSA-N Synonym: edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol PubChem CID: 6049 ChEBI: CHEBI:42191 SMILES: OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O

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Specifications

PubChem CID	6049
CAS	60-00-4
Molecular Weight (g/mol)	292.24
ChEBI	CHEBI:42191
MDL Number	MFCD00003541
SMILES	OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
Synonym	edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol
InChI Key	KCXVZYZYPLLWCC-UHFFFAOYSA-N
Molecular Formula	C10H16N2O8

1,178

Isopropyl Acetate, Puriss p.a., ≥99.5% (GC), Honeywell Riedel-de Haën™

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

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Specifications

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

1,179

1-Benzothiophene-7-carboxylic acid, 97%, Thermo Scientific™

CAS: 10134-98-2 Molecular Formula: C9H6O2S Molecular Weight (g/mol): 178.205 InChI Key: LJPSRTWIAXVPIS-UHFFFAOYSA-N Synonym: benzo b thiophene-7-carboxylic acid,benzo b thiophene-7-carboxylicacid,7-carboxybenzo b thiophene,1-benzo b thiophene-7-carboxylic acid PubChem CID: 14235073 IUPAC Name: 1-benzothiophene-7-carboxylic acid SMILES: C1=CC2=C(C(=C1)C(=O)O)SC=C2

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Specifications

PubChem CID	14235073
CAS	10134-98-2
Molecular Weight (g/mol)	178.205
SMILES	C1=CC2=C(C(=C1)C(=O)O)SC=C2
Synonym	benzo b thiophene-7-carboxylic acid,benzo b thiophene-7-carboxylicacid,7-carboxybenzo b thiophene,1-benzo b thiophene-7-carboxylic acid
IUPAC Name	1-benzothiophene-7-carboxylic acid
InChI Key	LJPSRTWIAXVPIS-UHFFFAOYSA-N
Molecular Formula	C9H6O2S

1,180

2-Methyl-2h-indazole-3-carboxylic acid, 97%, Thermo Scientific™

CAS: 34252-44-3 Molecular Formula: C9H8N2O2 Molecular Weight (g/mol): 176.175 InChI Key: ABRISPFTOZIXMP-UHFFFAOYSA-N Synonym: 2-methyl-2h-indazole-3-carboxylic acid,2h-indazole-3-carboxylic acid, 2-methyl PubChem CID: 7060537 IUPAC Name: 2-methylindazole-3-carboxylic acid SMILES: CN1C(=C2C=CC=CC2=N1)C(=O)O

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Specifications

PubChem CID	7060537
CAS	34252-44-3
Molecular Weight (g/mol)	176.175
SMILES	CN1C(=C2C=CC=CC2=N1)C(=O)O
Synonym	2-methyl-2h-indazole-3-carboxylic acid,2h-indazole-3-carboxylic acid, 2-methyl
IUPAC Name	2-methylindazole-3-carboxylic acid
InChI Key	ABRISPFTOZIXMP-UHFFFAOYSA-N
Molecular Formula	C9H8N2O2

1,181

1-Methyl-3-phenyl-1H-pyrazole-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 10250-64-3 Molecular Formula: C11H10N2O2 Molecular Weight (g/mol): 202.213 MDL Number: MFCD08271939 InChI Key: RTBQZMPYPFQBHA-UHFFFAOYSA-N PubChem CID: 7537625 IUPAC Name: 2-methyl-5-phenylpyrazole-3-carboxylic acid SMILES: CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)O

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Specifications

PubChem CID	7537625
CAS	10250-64-3
Molecular Weight (g/mol)	202.213
MDL Number	MFCD08271939
SMILES	CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)O
IUPAC Name	2-methyl-5-phenylpyrazole-3-carboxylic acid
InChI Key	RTBQZMPYPFQBHA-UHFFFAOYSA-N
Molecular Formula	C11H10N2O2

1,182

Ethyl 1-methyl-3-thien-2-yl-1H-pyrazole-5-carboxylate, 97%, Thermo Scientific™

CAS: 868755-61-7 Molecular Formula: C11H12N2O2S Molecular Weight (g/mol): 236.29 MDL Number: MFCD08060537 InChI Key: MUIUODSZPZJMMP-UHFFFAOYSA-N Synonym: ethyl 1-methyl-3-thien-2-yl-1h-pyrazole-5-carboxylate,ethyl 2-methyl-5-thiophen-2-yl pyrazole-3-carboxylate,ethyl 1-methyl-3-2-thienyl pyrazole-5-carboxylate,ethyl 1-methyl-3-thiophen-2-yl-1h-pyrazole-5-carboxylate,1h-pyrazole-5-carboxylicacid,1-methyl-3-2-thienyl-,ethyl ester,1h-pyrazole-5-carboxylicacid, 1-methyl-3-2-thienyl-, ethyl ester PubChem CID: 7537652 IUPAC Name: ethyl 2-methyl-5-thiophen-2-ylpyrazole-3-carboxylate SMILES: CCOC(=O)C1=CC(=NN1C)C1=CC=CS1

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Specifications

PubChem CID	7537652
CAS	868755-61-7
Molecular Weight (g/mol)	236.29
MDL Number	MFCD08060537
SMILES	CCOC(=O)C1=CC(=NN1C)C1=CC=CS1
Synonym	ethyl 1-methyl-3-thien-2-yl-1h-pyrazole-5-carboxylate,ethyl 2-methyl-5-thiophen-2-yl pyrazole-3-carboxylate,ethyl 1-methyl-3-2-thienyl pyrazole-5-carboxylate,ethyl 1-methyl-3-thiophen-2-yl-1h-pyrazole-5-carboxylate,1h-pyrazole-5-carboxylicacid,1-methyl-3-2-thienyl-,ethyl ester,1h-pyrazole-5-carboxylicacid, 1-methyl-3-2-thienyl-, ethyl ester
IUPAC Name	ethyl 2-methyl-5-thiophen-2-ylpyrazole-3-carboxylate
InChI Key	MUIUODSZPZJMMP-UHFFFAOYSA-N
Molecular Formula	C11H12N2O2S

1,183

Ethyl 1-methyl-5-thien-2-yl-1H-pyrazole-3-carboxylate, 97%, Thermo Scientific™

CAS: 868755-60-6 Molecular Formula: C11H12N2O2S Molecular Weight (g/mol): 236.29 MDL Number: MFCD08060536 InChI Key: KIYMTNJEKXVPSQ-UHFFFAOYSA-N Synonym: ethyl 1-methyl-5-thien-2-yl-1h-pyrazole-3-carboxylate,ethyl 1-methyl-5-thiophen-2-yl pyrazole-3-carboxylate,ethyl 1-methyl-5-2-thienyl pyrazole-3-carboxylate,ethyl 1-methyl-5-thiophen-2-yl-1h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylicacid,1-methyl-5-2-thienyl-,ethyl ester,1h-pyrazole-3-carboxylicacid, 1-methyl-5-2-thienyl-, ethyl ester PubChem CID: 7537650 IUPAC Name: ethyl 1-methyl-5-thiophen-2-ylpyrazole-3-carboxylate SMILES: CCOC(=O)C1=NN(C)C(=C1)C1=CC=CS1

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Specifications

PubChem CID	7537650
CAS	868755-60-6
Molecular Weight (g/mol)	236.29
MDL Number	MFCD08060536
SMILES	CCOC(=O)C1=NN(C)C(=C1)C1=CC=CS1
Synonym	ethyl 1-methyl-5-thien-2-yl-1h-pyrazole-3-carboxylate,ethyl 1-methyl-5-thiophen-2-yl pyrazole-3-carboxylate,ethyl 1-methyl-5-2-thienyl pyrazole-3-carboxylate,ethyl 1-methyl-5-thiophen-2-yl-1h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylicacid,1-methyl-5-2-thienyl-,ethyl ester,1h-pyrazole-3-carboxylicacid, 1-methyl-5-2-thienyl-, ethyl ester
IUPAC Name	ethyl 1-methyl-5-thiophen-2-ylpyrazole-3-carboxylate
InChI Key	KIYMTNJEKXVPSQ-UHFFFAOYSA-N
Molecular Formula	C11H12N2O2S

1,184

Methyl 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate, 97%, Thermo Scientific™

CAS: 209912-44-7 Molecular Formula: C11H10N2O3 Molecular Weight (g/mol): 218.212 MDL Number: MFCD08690288 InChI Key: PJYMNVKGDLTDJE-UHFFFAOYSA-N Synonym: methyl 4-3-methyl-1,2,4-oxadiazol-5-yl benzoate,4-3-methyl-1,2,4-oxadiazole-5-yl benzoic acid methyl ester,benzoicacid, 4-3-methyl-1,2,4-oxadiazol-5-yl-, methyl ester PubChem CID: 11096067 IUPAC Name: methyl 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate SMILES: CC1=NOC(=N1)C2=CC=C(C=C2)C(=O)OC

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Specifications

PubChem CID	11096067
CAS	209912-44-7
Molecular Weight (g/mol)	218.212
MDL Number	MFCD08690288
SMILES	CC1=NOC(=N1)C2=CC=C(C=C2)C(=O)OC
Synonym	methyl 4-3-methyl-1,2,4-oxadiazol-5-yl benzoate,4-3-methyl-1,2,4-oxadiazole-5-yl benzoic acid methyl ester,benzoicacid, 4-3-methyl-1,2,4-oxadiazol-5-yl-, methyl ester
IUPAC Name	methyl 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
InChI Key	PJYMNVKGDLTDJE-UHFFFAOYSA-N
Molecular Formula	C11H10N2O3

1,185

3,5,7-Trimethyladamantane-1-carboxylic acid, 97%, Thermo Scientific™

CAS: 15291-66-4 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.33 MDL Number: MFCD00187581 InChI Key: DHIIUPVOLLOORM-UHFFFAOYSA-N Synonym: 3,5,8-trimethyladamantanecarboxylic acid,maybridge4_000576,1,3,5-trimethyladamantane-7-carboxylic acid,3,5,7-trimethyl adamantane-1-carboxylic acid,1s,3r,5s,7s-3,5,7-trimethyladamantane-1-carboxylic acid,3r,5s,7s-3,5,7-trimethyladamantane-1-carboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylicacid, 3,5,7-trimethyl,tricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid, 3,5,7-trimethyl PubChem CID: 2802268 IUPAC Name: 3,5,7-trimethyladamantane-1-carboxylic acid SMILES: CC12CC3(C)CC(C)(C1)CC(C2)(C3)C(O)=O

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Specifications

PubChem CID	2802268
CAS	15291-66-4
Molecular Weight (g/mol)	222.33
MDL Number	MFCD00187581
SMILES	CC12CC3(C)CC(C)(C1)CC(C2)(C3)C(O)=O
Synonym	3,5,8-trimethyladamantanecarboxylic acid,maybridge4_000576,1,3,5-trimethyladamantane-7-carboxylic acid,3,5,7-trimethyl adamantane-1-carboxylic acid,1s,3r,5s,7s-3,5,7-trimethyladamantane-1-carboxylic acid,3r,5s,7s-3,5,7-trimethyladamantane-1-carboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylicacid, 3,5,7-trimethyl,tricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid, 3,5,7-trimethyl
IUPAC Name	3,5,7-trimethyladamantane-1-carboxylic acid
InChI Key	DHIIUPVOLLOORM-UHFFFAOYSA-N
Molecular Formula	C14H22O2

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