Cas no 6048-83-5 (methyl 2-benzyloctahydro-3aH-isoindole-3a-carboxylate)
6048-83-5 structure
Product Name:methyl 2-benzyloctahydro-3aH-isoindole-3a-carboxylate
CAS No:6048-83-5
MF:C9H18S
MW:158.304221630096
CID:1623648
Update Time:2024-09-11
methyl 2-benzyloctahydro-3aH-isoindole-3a-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- methyl 2-benzyloctahydro-3aH-isoindole-3a-carboxylate
- methyl 2-benzyl-3,4,5,6,7,7a-hexahydro-1H-isoindole-3a-carboxylate
- thiacyclodecane
-
- Inchi： 1S/C9H18S/c1-2-4-6-8-10-9-7-5-3-1/h1-9H2
- InChI Key： IKUFHMODDAEPRX-UHFFFAOYSA-N
- SMILES： S1CCCCCCCCC1
Computed Properties
- Exact Mass: 273.17299
- Monoisotopic Mass: 273.172879
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 351
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 29.5
Experimental Properties
- Density: 1.127
- Boiling Point: 355.4°C at 760 mmHg
- Flash Point: 117.6°C
- Refractive Index: 1.561
- PSA: 29.54
methyl 2-benzyloctahydro-3aH-isoindole-3a-carboxylate Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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