Cas no 108766-27-4 (Phenanthro[4,3-d]-1,3-dioxole-5-carboxylicacid, 4-hydroxy-8-methoxy-6-nitro-)
![Phenanthro[4,3-d]-1,3-dioxole-5-carboxylicacid, 4-hydroxy-8-methoxy-6-nitro- structure](https://ossimg.kuujia.com/scimg/109000/108766-27-4x500.png)
108766-27-4 structure
Product Name:Phenanthro[4,3-d]-1,3-dioxole-5-carboxylicacid, 4-hydroxy-8-methoxy-6-nitro-
CAS No:108766-27-4
MF:C17H11NO8
MW:357.271145105362
CID:181377
PubChem ID:71334749
Update Time:2025-04-19
Phenanthro[4,3-d]-1,3-dioxole-5-carboxylicacid, 4-hydroxy-8-methoxy-6-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenanthro[4,3-d]-1,3-dioxole-5-carboxylicacid, 4-hydroxy-8-methoxy-6-nitro-
- 4-hydroxy-8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
- Aristolochic acid VIa
- Phenanthro[3,4-d]-1,3-dioxole-5-carboxylicacid, 4-hydroxy-8-methoxy-6-nitro- (9CI)
- 4-Hydroxy-8-methoxy-6-nitro-2H-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid
- DTXSID50762828
- 108766-27-4
-
- Inchi： 1S/C17H11NO8/c1-24-10-4-2-3-7-8(10)5-9(18(22)23)12-11(7)15-16(26-6-25-15)14(19)13(12)17(20)21/h2-5,19H,6H2,1H3,(H,20,21)
- InChI Key： ZLAYZZFNRRNYGF-UHFFFAOYSA-N
- SMILES： O1COC2=C(C(C(=O)O)=C3C(=CC4C(=CC=CC=4C3=C12)OC)[N+](=O)[O-])O
Computed Properties
- Exact Mass: 357.04843
- Monoisotopic Mass: 357.04846631g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 26
- Rotatable Bond Count: 2
- Complexity: 580
- 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: 3.8
- Topological Polar Surface Area: 131?2
Experimental Properties
- PSA: 128.36
Phenanthro[4,3-d]-1,3-dioxole-5-carboxylicacid, 4-hydroxy-8-methoxy-6-nitro- Related Literature
-
Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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