Cas no 880-38-6 (4a(2H)-Naphthalenecarbonitrile, octahydro-8a-methyl-3-oxo-, cis-)
880-38-6 structure
Product Name:4a(2H)-Naphthalenecarbonitrile, octahydro-8a-methyl-3-oxo-, cis-
CAS No:880-38-6
MF:C12H17NO
MW:191.269483327866
CID:647727
PubChem ID:12841220
Update Time:2025-04-19
4a(2H)-Naphthalenecarbonitrile, octahydro-8a-methyl-3-oxo-, cis- Chemical and Physical Properties
Names and Identifiers
-
- 4a(2H)-Naphthalenecarbonitrile, octahydro-8a-methyl-3-oxo-, cis-
- (4aR,8aR)-8a-methyl-6-oxo-2,3,4,5,7,8-hexahydro-1H-naphthalene-4a-carbonitrile
- VDTIJFRUZIAMNB-NEPJUHHUSA-N
- 880-38-6
- DTXSID20511209
- 8a-Methyl-3-oxooctahydro-4a(2H)-naphthalenecarbonitrile #
- (4aR,8aR)-8a-Methyl-3-oxooctahydronaphthalene-4a(2H)-carbonitrile
- cis-8a-Methyl-3-oxodecahydro-4a-naphthalenecarbonitrile
-
- Inchi： 1S/C12H17NO/c1-11-5-2-3-6-12(11,9-13)8-10(14)4-7-11/h2-8H2,1H3/t11-,12+/m1/s1
- InChI Key： VDTIJFRUZIAMNB-NEPJUHHUSA-N
- SMILES： O=C1CC[C@@]2(C)CCCC[C@@]2(C#N)C1
Computed Properties
- Exact Mass: 191.131014166g/mol
- Monoisotopic Mass: 191.131014166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 314
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 40.9?2
Experimental Properties
- PSA: 40.86000
- LogP: 2.82968
4a(2H)-Naphthalenecarbonitrile, octahydro-8a-methyl-3-oxo-, cis- Related Literature
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1. 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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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
880-38-6 (4a(2H)-Naphthalenecarbonitrile, octahydro-8a-methyl-3-oxo-, cis-) Related Products
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