Cas no 108766-28-5 (Phenanthro[4,3-d]-1,3-dioxole-5-carboxylicacid, 9,10-dimethoxy-6-nitro-)
![Phenanthro[4,3-d]-1,3-dioxole-5-carboxylicacid, 9,10-dimethoxy-6-nitro- structure](https://ossimg.kuujia.com/scimg/109000/108766-28-5x500.png)
108766-28-5 structure
Product Name:Phenanthro[4,3-d]-1,3-dioxole-5-carboxylicacid, 9,10-dimethoxy-6-nitro-
CAS No:108766-28-5
MF:C18H13NO8
MW:371.297725439072
CID:229836
PubChem ID:71334750
Update Time:2025-04-19
Phenanthro[4,3-d]-1,3-dioxole-5-carboxylicacid, 9,10-dimethoxy-6-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenanthro[4,3-d]-1,3-dioxole-5-carboxylicacid, 9,10-dimethoxy-6-nitro-
- 9,10-dimethoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
- Aristolochic acid V
- Phenanthro[3,4-d]-1,3-dioxole-5-carboxylicacid, 9,10-dimethoxy-6-nitro- (9CI)
- 9,10-Dimethoxy-6-nitro-2H-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid
- 108766-28-5
- DTXSID10762829
-
- Inchi： 1S/C18H13NO8/c1-24-12-4-8-3-11(19(22)23)15-10(18(20)21)6-14-17(27-7-26-14)16(15)9(8)5-13(12)25-2/h3-6H,7H2,1-2H3,(H,20,21)
- InChI Key： GBTQLBDRVHSJSQ-UHFFFAOYSA-N
- SMILES： O1COC2=CC(C(=O)O)=C3C(=CC4C=C(C(=CC=4C3=C12)OC)OC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 371.06411637g/mol
- Monoisotopic Mass: 371.06411637g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 27
- Rotatable Bond Count: 3
- Complexity: 594
- 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: 3.5
- Topological Polar Surface Area: 120?2
Experimental Properties
- PSA: 120.04000
- LogP: 3.86850
Phenanthro[4,3-d]-1,3-dioxole-5-carboxylicacid, 9,10-dimethoxy-6-nitro- Related Literature
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
108766-28-5 (Phenanthro[4,3-d]-1,3-dioxole-5-carboxylicacid, 9,10-dimethoxy-6-nitro-) Related Products
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