Cas no 2955-43-3 (Benzenepropanoic acid, a-butyl-a-phenyl-)
2955-43-3 structure
Product Name:Benzenepropanoic acid, a-butyl-a-phenyl-
CAS No:2955-43-3
MF:C19H22O2
MW:282.376785755157
CID:289002
PubChem ID:256031
Update Time:2025-04-19
Benzenepropanoic acid, a-butyl-a-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid, a-butyl-a-phenyl-
- 2-benzyl-2-phenylhexanoic acid
- 1,2-Diphenyl-hexan-carbonsaeure-(2)
- AC1L5TQ0
- AC1Q5RTQ
- AG-K-03644
- AR-1D9154
- CTK4G3482
- NSC82228
- 2955-43-3
- NSC-82228
- DTXSID90292391
-
- Inchi： 1S/C19H22O2/c1-2-3-14-19(18(20)21,17-12-8-5-9-13-17)15-16-10-6-4-7-11-16/h4-13H,2-3,14-15H2,1H3,(H,20,21)
- InChI Key： AWAOIGUKCPMZAO-UHFFFAOYSA-N
- SMILES： OC(C(C1C=CC=CC=1)(CC1C=CC=CC=1)CCCC)=O
Computed Properties
- Exact Mass: 282.16206
- Monoisotopic Mass: 282.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 7
- Complexity: 314
- 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: 5.2
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
- LogP: 4.44190
Benzenepropanoic acid, a-butyl-a-phenyl- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
2955-43-3 (Benzenepropanoic acid, a-butyl-a-phenyl-) Related Products
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- 37828-19-6(1-phenylcyclobutane-1-carboxylic acid)
- 6120-95-2(1-phenylcyclopropane-1-carboxylic acid)
- 90-27-7(2-Phenylbutyric acid)
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