Cas no 37140-22-0 (3-Nitronaphthalene-1,8-dicarboxylic acid)
37140-22-0 structure
Product Name:3-Nitronaphthalene-1,8-dicarboxylic acid
CAS No:37140-22-0
MF:C12H7NO6
MW:261.187083482742
CID:2824467
Update Time:2023-08-07
3-Nitronaphthalene-1,8-dicarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-Nitronaphthalene-1,8-dicarboxylic acid
- 3-nitro-1,8-naphthalic acid
-
- Inchi： 1S/C12H7NO6/c14-11(15)8-3-1-2-6-4-7(13(18)19)5-9(10(6)8)12(16)17/h1-5H,(H,14,15)(H,16,17)
- InChI Key： BVZLVXMWQPRHJR-UHFFFAOYSA-N
- SMILES： OC(C1C=C(C=C2C=CC=C(C(=O)O)C2=1)[N+](=O)[O-])=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 404
- XLogP3: 1.8
- Topological Polar Surface Area: 120
3-Nitronaphthalene-1,8-dicarboxylic acid Related Literature
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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