Cas no 1217849-77-8 ((3aS,7aR)-1-Benzylhexahydro-1H-indol-5(6H)-one)
1217849-77-8 structure
Product Name:(3aS,7aR)-1-Benzylhexahydro-1H-indol-5(6H)-one
CAS No:1217849-77-8
MF:C15H19NO
MW:229.317464113235
CID:1082416
PubChem ID:83487117
Update Time:2025-04-20
(3aS,7aR)-1-Benzylhexahydro-1H-indol-5(6H)-one Chemical and Physical Properties
Names and Identifiers
-
- (3aS,7aR)-1-Benzylhexahydro-1H-indol-5(6H)-one
- (3aS,7aR)-1-benzyl-3,3a,4,6,7,7a-hexahydro-2H-indol-5-one
- MB12275
- 1217849-77-8
-
- Inchi： 1S/C15H19NO/c17-14-6-7-15-13(10-14)8-9-16(15)11-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2
- InChI Key： FVOLNIPMLAGJQN-UHFFFAOYSA-N
- SMILES： O=C1CCC2C(C1)CCN2CC1C=CC=CC=1
Computed Properties
- Exact Mass: 229.146664230g/mol
- Monoisotopic Mass: 229.146664230g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 283
- 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
- XLogP3: 2
- Topological Polar Surface Area: 20.3?2
(3aS,7aR)-1-Benzylhexahydro-1H-indol-5(6H)-one Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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