Cas no 162112-29-0 (2-Anthracenecarboxylicacid, 9,10-dihydro-3,8-dihydroxy-7,10-dimethyl-9-oxo- (9CI))
162112-29-0 structure
Product Name:2-Anthracenecarboxylicacid, 9,10-dihydro-3,8-dihydroxy-7,10-dimethyl-9-oxo- (9CI)
CAS No:162112-29-0
MF:C17H14O5
MW:298.290065288544
CID:172693
PubChem ID:71355863
Update Time:2025-04-19
2-Anthracenecarboxylicacid, 9,10-dihydro-3,8-dihydroxy-7,10-dimethyl-9-oxo- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Anthracenecarboxylicacid, 9,10-dihydro-3,8-dihydroxy-7,10-dimethyl-9-oxo- (9CI)
- Q 6916Z
- 3,8-dihydroxy-7,10-dimethyl-9-oxo-10H-anthracene-2-carboxylic acid
- 3,8-DIHYDROXY-7,10-DIMETHYL-9-OXO-9,10-DIHYDROANTHRACENE-2-CARBOXYLIC ACID
- 162112-29-0
- DTXSID00780097
-
- Inchi： 1S/C17H14O5/c1-7-3-4-9-8(2)10-6-13(18)12(17(21)22)5-11(10)16(20)14(9)15(7)19/h3-6,8,18-19H,1-2H3,(H,21,22)
- InChI Key： BGIVZBXTQZTVHZ-UHFFFAOYSA-N
- SMILES： O=C1C2C=C(C(=O)O)C(=CC=2C(C)C2C=CC(C)=C(C=21)O)O
Computed Properties
- Exact Mass: 298.08412
- Monoisotopic Mass: 298.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 1
- Complexity: 476
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4
- Topological Polar Surface Area: 94.8?2
Experimental Properties
- PSA: 94.83
2-Anthracenecarboxylicacid, 9,10-dihydro-3,8-dihydroxy-7,10-dimethyl-9-oxo- (9CI) Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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