Cas no 62589-83-7 (Benzoic acid, 4-(4-phenyl-1,3-butadienyl)-)
62589-83-7 structure
Product Name:Benzoic acid, 4-(4-phenyl-1,3-butadienyl)-
CAS No:62589-83-7
MF:C17H14O2
MW:250.291864871979
CID:439037
PubChem ID:53642808
Update Time:2025-04-19
Benzoic acid, 4-(4-phenyl-1,3-butadienyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-(4-phenyl-1,3-butadienyl)-
- 4-(4-phenylbuta-1,3-dienyl)benzoic acid
- DTXSID60705620
- 4-(4-Phenylbuta-1,3-dien-1-yl)benzoic acid
- SCHEMBL11472195
- 62589-83-7
-
- Inchi： 1S/C17H14O2/c18-17(19)16-12-10-15(11-13-16)9-5-4-8-14-6-2-1-3-7-14/h1-13H,(H,18,19)
- InChI Key： AHFBPBIPTMNJJV-UHFFFAOYSA-N
- SMILES： OC(C1C=CC(C=CC=CC2C=CC=CC=2)=CC=1)=O
Computed Properties
- Exact Mass: 250.09942
- Monoisotopic Mass: 250.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 329
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 4.4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Benzoic acid, 4-(4-phenyl-1,3-butadienyl)- Related Literature
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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