Cas no 102439-26-9 (2-Pentalenecarboxamide,1,2,3,4,5,6-hexahydro-)
102439-26-9 structure
Product Name:2-Pentalenecarboxamide,1,2,3,4,5,6-hexahydro-
CAS No:102439-26-9
MF:C9H13NO
MW:151.205622434616
CID:125074
Update Time:2024-03-05
2-Pentalenecarboxamide,1,2,3,4,5,6-hexahydro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentalenecarboxamide,1,2,3,4,5,6-hexahydro-
- 2-Pentalenecarboxamide,1,2,3,4,5,6-hexahydro-(6CI)
- Amid der Bicyclo<3.3.0>octen-(1 od.1,5)-carbonsaeure-(3)
-
- Inchi： 1S/C9H13NO/c10-9(11)8-4-6-2-1-3-7(6)5-8/h8H,1-5H2,(H2,10,11)
- InChI Key： SEGFZUUDMOAOBU-UHFFFAOYSA-N
- SMILES： C1C2=C(CCC2)CC1C(N)=O
Computed Properties
- Exact Mass: 151.09979
- Monoisotopic Mass: 151.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 214
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 43.1A^2
Experimental Properties
- PSA: 43.09
2-Pentalenecarboxamide,1,2,3,4,5,6-hexahydro- 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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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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