Cas no 95646-96-1 (Chrysene-6-carboxylic acid)
Chrysene-6-carboxylic acid structure
Product Name:Chrysene-6-carboxylic acid
CAS No:95646-96-1
MF:C19H12O2
MW:272.297385215759
CID:2819205
PubChem ID:20267708
Update Time:2025-04-21
Chrysene-6-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- DTXSID70604352
- 95646-96-1
- 6-Chrysenecarboxylic acid
- CHRYSENE-6-CARBOXYLIC ACID
- DTXCID80555109
- SCHEMBL10946505
- Chrysene-6-carboxylic acid
-
- Inchi： 1S/C19H12O2/c20-19(21)18-11-17-13-6-2-1-5-12(13)9-10-16(17)14-7-3-4-8-15(14)18/h1-11H,(H,20,21)
- InChI Key： CJXWVJPKDWMXEG-UHFFFAOYSA-N
- SMILES： OC(C1C=C2C3C=CC=CC=3C=CC2=C2C=CC=CC2=1)=O
Computed Properties
- Exact Mass: 272.083729621Da
- Monoisotopic Mass: 272.083729621Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 404
- 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
Chrysene-6-carboxylic acid Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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