Cas no 62921-60-2 (3,6,9,13-Tetraoxa-16-azabicyclo[9.3.3]heptadeca-1(15),11(17)-diene-2,10-dione, 15-methyl-)
![3,6,9,13-Tetraoxa-16-azabicyclo[9.3.3]heptadeca-1(15),11(17)-diene-2,10-dione, 15-methyl- structure](https://ossimg.kuujia.com/scimg/63000/62921-60-2x500.png)
62921-60-2 structure
Product Name:3,6,9,13-Tetraoxa-16-azabicyclo[9.3.3]heptadeca-1(15),11(17)-diene-2,10-dione, 15-methyl-
CAS No:62921-60-2
MF:C13H17NO6
MW:283.277184247971
CID:428725
PubChem ID:71381836
Update Time:2025-04-19
3,6,9,13-Tetraoxa-16-azabicyclo[9.3.3]heptadeca-1(15),11(17)-diene-2,10-dione, 15-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3,6,9,13-Tetraoxa-16-azabicyclo[9.3.3]heptadeca-1(15),11(17)-diene-2,10-dione, 15-methyl-
- 12-methyl-3,6,9,16-tetraoxa-13-azabicyclo[9.3.3]heptadeca-1(14),11-diene-2,10-dione
- 15-Methyl-3,6,9,13-tetraoxa-16-azabicyclo[9.3.3]heptadeca-1(15),11(17)-diene-2,10-dione
- DTXSID30804255
- 62921-60-2
-
- Inchi： 1S/C13H17NO6/c1-9-11-8-18-7-10(6-14-9)12(15)19-4-2-17-3-5-20-13(11)16/h6,14H,2-5,7-8H2,1H3
- InChI Key： PNQWHALGNYSDRG-UHFFFAOYSA-N
- SMILES： O1CC2C(=O)OCCOCCOC(C(=C(C)NC=2)C1)=O
Computed Properties
- Exact Mass: 283.10561
- Monoisotopic Mass: 283.10558726g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 454
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: -0.4
- Topological Polar Surface Area: 83.1?2
Experimental Properties
- PSA: 83.09
3,6,9,13-Tetraoxa-16-azabicyclo[9.3.3]heptadeca-1(15),11(17)-diene-2,10-dione, 15-methyl- Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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