Cas no 821009-99-8 (Propanoic acid,2-methyl-, 6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester)
![Propanoic acid,2-methyl-, 6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester structure](https://ossimg.kuujia.com/scimg/821500/821009-99-8x500.png)
821009-99-8 structure
Product Name:Propanoic acid,2-methyl-, 6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
CAS No:821009-99-8
MF:C12H21NO3
MW:227.300043821335
CID:715787
Update Time:2022-07-26
Propanoic acid,2-methyl-, 6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester Chemical and Physical Properties
Names and Identifiers
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- Propanoic acid,2-methyl-, 6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
- Propanoic acid, 2-methyl-, 6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester (9CI)
- Propanoic acid, 2-methyl-, 6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
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- Inchi： 1S/C12H21NO3/c1-7(2)12(15)16-9-4-8-5-11(14)10(6-9)13(8)3/h7-11,14H,4-6H2,1-3H3
- InChI Key： CURGAJAGSGATLQ-UHFFFAOYSA-N
- SMILES： C(OC1CC2N(C)C(CC2O)C1)(=O)C(C)C
Computed Properties
- Exact Mass: 227.152
- Monoisotopic Mass: 227.152
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 279
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 49.8A^2
Propanoic acid,2-methyl-, 6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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