Cas no 62222-67-7 (Butanedioic acid, (1-methyl-3-phenylpropyl)-)
62222-67-7 structure
Product Name:Butanedioic acid, (1-methyl-3-phenylpropyl)-
CAS No:62222-67-7
MF:C14H18O4
MW:250.290324687958
CID:453778
PubChem ID:12333257
Update Time:2025-04-19
Butanedioic acid, (1-methyl-3-phenylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, (1-methyl-3-phenylpropyl)-
- 2-(4-phenylbutan-2-yl)butanedioic acid
- 62222-67-7
- DTXSID40490906
-
- Inchi： 1S/C14H18O4/c1-10(12(14(17)18)9-13(15)16)7-8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,15,16)(H,17,18)
- InChI Key： GACCGDYBDPEGNW-UHFFFAOYSA-N
- SMILES： OC(C(CC(=O)O)C(C)CCC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 250.12054
- Monoisotopic Mass: 250.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 282
- 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: 2.5
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Butanedioic acid, (1-methyl-3-phenylpropyl)- Related Literature
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Bo Chen,Xiaotong Shen,Zhangfeng Luo,Di Cai,Changjing Chen,Changwei Zhang,Peiyong Qin,Hui Cao,Tianwei Tan RSC Adv., 2018,8, 25602-25610
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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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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
62222-67-7 (Butanedioic acid, (1-methyl-3-phenylpropyl)-) Related Products
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- 116754-80-4(3-Methyl-15-phenylpentadecanoic acid)
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- 104426-54-2(Benzenepentadecanoicacid, b,b-dimethyl-)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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