Cas no 51502-47-7 (1,3-Cyclopentanedicarboxaldehyde, monooxime, cis- (9CI))
51502-47-7 structure
Product Name:1,3-Cyclopentanedicarboxaldehyde, monooxime, cis- (9CI)
CAS No:51502-47-7
MF:C7H11NO2
MW:141.167742013931
CID:1017044
PubChem ID:90473075
Update Time:2025-04-20
1,3-Cyclopentanedicarboxaldehyde, monooxime, cis- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclopentanedicarboxaldehyde, monooxime, cis- (9CI)
- 1,3-Cyclopentanedicarboxaldehyde,monooxime,cis-(9ci)
- 51502-47-7
-
- Inchi： 1S/C7H11NO2/c9-5-7-2-1-6(3-7)4-8-10/h4-7,10H,1-3H2/b8-4+/t6-,7+/m1/s1
- InChI Key： WFJOTICREPDCCB-XSRVNQBZSA-N
- SMILES： O=C[C@H]1CC[C@@H](/C=N/O)C1
Computed Properties
- Exact Mass: 141.078978594g/mol
- Monoisotopic Mass: 141.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 145
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 49.7?2
1,3-Cyclopentanedicarboxaldehyde, monooxime, cis- (9CI) Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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