Cas no 20408-52-0 (5-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-chromene-6-carboxylic acid)
20408-52-0 structure
Product Name:5-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-chromene-6-carboxylic acid
CAS No:20408-52-0
MF:C22H30O4
MW:358.471207141876
CID:1393653
PubChem ID:3084339
Update Time:2025-04-20
5-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-chromene-6-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-chromene-6-carboxylic acid
- 5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromene-6-carboxylic acid
- cannabichromenic acid
- (+/-)-CANNABICHROMENIC ACID A
- (+)-Cannabichromenic acid
- GHH6KX8TQS
- Cannabichromenic acid, (+)-
- SCHEMBL9909325
- 2H-1-Benzopyran-6-carboxylic acid, 5-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-7-pentyl-, (+)-
- CHEMBL4594109
- (+/-)-CANNABICHROMENIC ACID
- 5-Hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-1-benzopyran-6-carboxylic acid
- CANNABICHROMENIC ACID, (+/-)-
- UNII-GHH6KX8TQS
- DTXSID301336859
- Q27284972
- 5-Hydroxy-2-methyl-2-(4-methyl-3-penten-1-yl)-7-pentyl-2H-1-benzopyran-6-carboxylic acid
- 2H-1-Benzopyran-6-carboxylic acid, 5-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-7-pentyl-
- CBCA
- (+-)-Cannabichromenic acid
- 20408-52-0
- 2H-1-Benzopyran-6-carboxylic acid, 5-hydroxy-2-methyl-2-(4-methyl-3-penten-1-yl)-7-pentyl-
- (+)-5-HYDROXY-2-METHYL-2-(4-METHYL-3-PENTEN-1-YL)-7-PENTYL-2H-1-BENZOPYRAN-6-CARBOXYLIC ACID
- 2H-1-BENZOPYRAN-6-CARBOXYLIC ACID, 5-HYDROXY-2-METHYL-2-(4-METHYL-3-PENTEN-1-YL)-7-PENTYL-, (+)-
- CHEBI:167557
- 185505-15-1
- NS00094551
- NNW8UMP980
- BC175206
- FS-7318
- UNII-NNW8UMP980
-
- Inchi: 1S/C22H30O4/c1-5-6-7-10-16-14-18-17(20(23)19(16)21(24)25)11-13-22(4,26-18)12-8-9-15(2)3/h9,11,13-14,23H,5-8,10,12H2,1-4H3,(H,24,25)
- InChI Key: HRHJHXJQMNWQTF-UHFFFAOYSA-N
- SMILES: O1C2C=C(C(C(=O)O)=C(C=2C=CC1(C)CC/C=C(\C)/C)O)CCCCC
Computed Properties
- Exact Mass: 358.2145
- Monoisotopic Mass: 358.21440943g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 8
- Complexity: 534
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.9
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
5-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-chromene-6-carboxylic acid Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Lianqin Wang,Rachida Bance-Soualhi,Julia Ponce-González,Pilar Ocón,Edson A. Ticianelli,Daniel K. Whelligan,John R. Varcoe J. Mater. Chem. A, 2018,6, 24330-24341
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Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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