Cas no 63282-01-9 (1-Cyclohexene-1-carboxaldehyde, 3-methyl- (9CI))
63282-01-9 structure
Product Name:1-Cyclohexene-1-carboxaldehyde, 3-methyl- (9CI)
CAS No:63282-01-9
MF:C8H12O
MW:124.180282592773
CID:426878
PubChem ID:4613556
Update Time:2025-04-19
1-Cyclohexene-1-carboxaldehyde, 3-methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1-Cyclohexene-1-carboxaldehyde, 3-methyl- (9CI)
- 1-Cyclohexene-1-carboxaldehyde, 3-methyl-
- 3-methylcyclohexene-1-carbaldehyde
- SCHEMBL1784346
- 63282-01-9
- AKOS022633096
- DTXSID10404893
- 3-methyl-1-cyclohexene-1-carbaldehyde
-
- Inchi： 1S/C8H12O/c1-7-3-2-4-8(5-7)6-9/h5-7H,2-4H2,1H3
- InChI Key： VHWMVBZKOFEBJW-UHFFFAOYSA-N
- SMILES： O=CC1=CC(C)CCC1
Computed Properties
- Exact Mass: 124.08886
- Monoisotopic Mass: 124.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 136
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
1-Cyclohexene-1-carboxaldehyde, 3-methyl- (9CI) Related Literature
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
63282-01-9 (1-Cyclohexene-1-carboxaldehyde, 3-methyl- (9CI)) Related Products
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