Cas no 84679-52-7 (2-Pyrenebutanoic acid)
2-Pyrenebutanoic acid structure
Product Name:2-Pyrenebutanoic acid
CAS No:84679-52-7
MF:C20H16O2
MW:288.339845657349
CID:666459
PubChem ID:13113907
Update Time:2025-04-19
2-Pyrenebutanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrenebutanoic acid
- 4-pyren-2-ylbutanoic acid
- 4-(Pyren-2-yl)butanoic acid
- 84679-52-7
- DTXSID20518879
- SCHEMBL1003594
- 4-pyren-2-yl-butyric acid
-
- Inchi： 1S/C20H16O2/c21-18(22)6-1-3-13-11-16-9-7-14-4-2-5-15-8-10-17(12-13)20(16)19(14)15/h2,4-5,7-12H,1,3,6H2,(H,21,22)
- InChI Key： BCDIYAIONAIKLH-UHFFFAOYSA-N
- SMILES： OC(CCCC1C=C2C=CC3C=CC=C4C=CC(C=1)=C2C=34)=O
Computed Properties
- Exact Mass: 288.115029749g/mol
- Monoisotopic Mass: 288.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 392
- 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: 5.1
- Topological Polar Surface Area: 37.3?2
2-Pyrenebutanoic acid Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
84679-52-7 (2-Pyrenebutanoic acid) Related Products
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