Cas no 16778-09-9 (Benzenebutanoic acid, g,g-diphenyl-)
16778-09-9 structure
Product Name:Benzenebutanoic acid, g,g-diphenyl-
CAS No:16778-09-9
MF:C22H20O2
MW:316.393006324768
CID:232458
PubChem ID:270495
Update Time:2025-04-19
Benzenebutanoic acid, g,g-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenebutanoic acid, g,g-diphenyl-
- 4,4,4-triphenylbutanoic acid
- 1-Carboxy-3,3,3-triphenyl-propan
- 4,4,4-Triphenyl-buttersaeure
- 4,4,4-triphenyl-butyric acid
- 4.4.4-Triphenyl-buttersaeure
- AC1L6OQ8
- AC1Q5VTI
- AG-K-24305
- AR-1F7552
- CTK4D2758
- NSC112938
- SureCN5329346
- NCI60_000291
- DTXSID10296977
- CHEMBL2002466
- NSC-112938
- 16778-09-9
- SCHEMBL5329346
-
- Inchi： 1S/C22H20O2/c23-21(24)16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,23,24)
- InChI Key： UGHIPOMCWKJUAO-UHFFFAOYSA-N
- SMILES： OC(CCC(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 316.1464
- Monoisotopic Mass: 316.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 6
- Complexity: 339
- 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: 5.2
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
- LogP: 4.88580
Benzenebutanoic acid, g,g-diphenyl- Related Literature
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Yanyun Wang,Huijun Ma,Galong Li,Fei Gao,Mingli Peng,Hai Ming Fan Nanoscale Horiz., 2019,4, 1450-1459
16778-09-9 (Benzenebutanoic acid, g,g-diphenyl-) Related Products
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