Cas no 142354-70-9 (Benzoic acid, 2-(3-ethylbenzoyl)-)
142354-70-9 structure
Product Name:Benzoic acid, 2-(3-ethylbenzoyl)-
CAS No:142354-70-9
MF:C16H14O3
MW:254.280564785004
CID:2775075
PubChem ID:11858869
Update Time:2025-04-21
Benzoic acid, 2-(3-ethylbenzoyl)- Chemical and Physical Properties
Names and Identifiers
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- DTXSID80474487
- 142354-70-9
- SCHEMBL9230721
- Benzoic acid, 2-(3-ethylbenzoyl)-
-
- Inchi： 1S/C16H14O3/c1-2-11-6-5-7-12(10-11)15(17)13-8-3-4-9-14(13)16(18)19/h3-10H,2H2,1H3,(H,18,19)
- InChI Key： ITPACMXBZIUYPS-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1C(=O)O)C1=CC=CC(=C1)CC
Computed Properties
- Exact Mass: 254.094294304Da
- Monoisotopic Mass: 254.094294304Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 337
- 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: 3.3
- Topological Polar Surface Area: 54.4?2
Benzoic acid, 2-(3-ethylbenzoyl)- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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