Cas no 671218-26-1 (4-Formylchrysene-5-carboxylic acid)
671218-26-1 structure
Product Name:4-Formylchrysene-5-carboxylic acid
CAS No:671218-26-1
MF:C20H12O3
MW:300.307485580444
CID:2796907
PubChem ID:71368720
Update Time:2025-04-21
4-Formylchrysene-5-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- DTXSID90791773
- DTXCID20742516
- 671218-26-1
- 4-Formylchrysene-5-carboxylic acid
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- Inchi： 1S/C20H12O3/c21-11-14-6-3-5-12-8-9-16-15-7-2-1-4-13(15)10-17(20(22)23)19(16)18(12)14/h1-11H,(H,22,23)
- InChI Key： FLLLEZAOKXTGQP-UHFFFAOYSA-N
- SMILES： OC(C1C=C2C=CC=CC2=C2C=CC3C=CC=C(C=O)C=3C2=1)=O
Computed Properties
- Exact Mass: 300.078644241Da
- Monoisotopic Mass: 300.078644241Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 474
- 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: 4.7
- Topological Polar Surface Area: 54.4?2
4-Formylchrysene-5-carboxylic acid Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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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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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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