Cas no 42222-79-7 (2-(3-Oxo-3-phenylpropanoyl)benzoic acid)
42222-79-7 structure
Product Name:2-(3-Oxo-3-phenylpropanoyl)benzoic acid
CAS No:42222-79-7
MF:C16H12O4
MW:268.264084815979
CID:2637131
PubChem ID:12392104
Update Time:2025-04-21
2-(3-Oxo-3-phenylpropanoyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(3-oxo-3-phenylpropanoyl)benzoic acid
- 42222-79-7
- DTXSID80496043
- SCHEMBL8780712
- SHAPIWXATZPBGB-UHFFFAOYSA-N
- 2-benzoylacetylbenzoic acid
- 2-(3-Oxo-3-phenylpropanoyl)benzoic acid
-
- Inchi： 1S/C16H12O4/c17-14(11-6-2-1-3-7-11)10-15(18)12-8-4-5-9-13(12)16(19)20/h1-9H,10H2,(H,19,20)
- InChI Key： SHAPIWXATZPBGB-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1C(=O)O)CC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 268.07355886Da
- Monoisotopic Mass: 268.07355886Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 382
- 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: 2.3
- Topological Polar Surface Area: 71.4?2
2-(3-Oxo-3-phenylpropanoyl)benzoic acid Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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