Cas no 58791-46-1 (1,4-Anthracenedicarboxylic acid dimethyl ester)
58791-46-1 structure
Product Name:1,4-Anthracenedicarboxylic acid dimethyl ester
CAS No:58791-46-1
MF:C18H14O4
MW:294.301365375519
CID:2185203
PubChem ID:12254928
Update Time:2025-04-21
1,4-Anthracenedicarboxylic acid dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Anthracenedicarboxylic acid dimethyl ester
- SCHEMBL15653347
- 58791-46-1
- DB-301098
- 1,4-Diacetoxyanthracen
-
- Inchi： 1S/C18H14O4/c1-21-17(19)13-7-8-14(18(20)22-2)16-10-12-6-4-3-5-11(12)9-15(13)16/h3-10H,1-2H3
- InChI Key： IMKGNZDIKBKXLD-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CC=C(C(=O)OC)C2=CC3C=CC=CC=3C=C21)=O
Computed Properties
- Exact Mass: 294.08920892Da
- Monoisotopic Mass: 294.08920892Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 393
- 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: 4.1
- Topological Polar Surface Area: 52.6?2
1,4-Anthracenedicarboxylic acid dimethyl ester Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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