Cas no 59772-06-4 (6,6-dimethyl-2-(4-nitrophenyl)-5-oxo-3-[4-(propan-2-yl)phenyl]heptanoic acid)
![6,6-dimethyl-2-(4-nitrophenyl)-5-oxo-3-[4-(propan-2-yl)phenyl]heptanoic acid structure](https://ossimg.kuujia.com/scimg/60000/59772-06-4x500.png)
59772-06-4 structure
Product Name:6,6-dimethyl-2-(4-nitrophenyl)-5-oxo-3-[4-(propan-2-yl)phenyl]heptanoic acid
CAS No:59772-06-4
MF:C24H29NO5
MW:411.490767240524
CID:950658
PubChem ID:323497
Update Time:2025-04-19
6,6-dimethyl-2-(4-nitrophenyl)-5-oxo-3-[4-(propan-2-yl)phenyl]heptanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 6,6-dimethyl-2-(4-nitrophenyl)-5-oxo-3-[4-(propan-2-yl)phenyl]heptanoic acid
- NSC283861
- AC1L88QU
- NSC-283861
- 6,6-dimethyl-2-(4-nitrophenyl)-5-oxo-3-(4-propan-2-ylphenyl)heptanoic acid
- DS-015649
- DTXSID60314478
- 59772-06-4
-
- Inchi： 1S/C24H29NO5/c1-15(2)16-6-8-17(9-7-16)20(14-21(26)24(3,4)5)22(23(27)28)18-10-12-19(13-11-18)25(29)30/h6-13,15,20,22H,14H2,1-5H3,(H,27,28)
- InChI Key： PYWQQDWIIBUAEF-UHFFFAOYSA-N
- SMILES： O=C(C(C)(C)C)CC(C1C=CC(C(C)C)=CC=1)C(C(=O)O)C1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 411.20467
- Monoisotopic Mass: 411.20457303g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 30
- Rotatable Bond Count: 8
- Complexity: 602
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.2
- Topological Polar Surface Area: 100?2
Experimental Properties
- PSA: 97.51
6,6-dimethyl-2-(4-nitrophenyl)-5-oxo-3-[4-(propan-2-yl)phenyl]heptanoic acid Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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4. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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