Cas no 920270-34-4 ([1,1'-Biphenyl]-4-carboxylic acid, 4'-heptyl-2-methyl-)
920270-34-4 structure
Product Name:[1,1'-Biphenyl]-4-carboxylic acid, 4'-heptyl-2-methyl-
CAS No:920270-34-4
MF:C21H26O2
MW:310.429946422577
CID:758859
PubChem ID:25259039
Update Time:2025-04-19
[1,1'-Biphenyl]-4-carboxylic acid, 4'-heptyl-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- [1,1'-Biphenyl]-4-carboxylic acid, 4'-heptyl-2-methyl-
- 4-(4-heptylphenyl)-3-methylbenzoic acid
- CHEMBL510735
- 920270-34-4
- DTXSID20649511
- 4'-Heptyl-2-methyl[1,1'-biphenyl]-4-carboxylic acid
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- Inchi: 1S/C21H26O2/c1-3-4-5-6-7-8-17-9-11-18(12-10-17)20-14-13-19(21(22)23)15-16(20)2/h9-15H,3-8H2,1-2H3,(H,22,23)
- InChI Key: FOWFCXWOMTYHOZ-UHFFFAOYSA-N
- SMILES: OC(C1C=CC(=C(C)C=1)C1C=CC(=CC=1)CCCCCCC)=O
Computed Properties
- Exact Mass: 310.193280068g/mol
- Monoisotopic Mass: 310.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 8
- Complexity: 344
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.9
- Topological Polar Surface Area: 37.3?2
[1,1'-Biphenyl]-4-carboxylic acid, 4'-heptyl-2-methyl- Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
920270-34-4 ([1,1'-Biphenyl]-4-carboxylic acid, 4'-heptyl-2-methyl-) Related Products
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