Cas no 109466-72-0 (Cyclohexanecarboxaldehyde,4-hydroxy-3-methoxy-, [1R-(1a,3a,4b)]- (9CI))
![Cyclohexanecarboxaldehyde,4-hydroxy-3-methoxy-, [1R-(1a,3a,4b)]- (9CI) structure](https://ossimg.kuujia.com/scimg/109500/109466-72-0x500.png)
109466-72-0 structure
Product Name:Cyclohexanecarboxaldehyde,4-hydroxy-3-methoxy-, [1R-(1a,3a,4b)]- (9CI)
CAS No:109466-72-0
MF:C8H14O3
MW:158.194962978363
CID:128445
PubChem ID:13819077
Update Time:2025-04-18
Cyclohexanecarboxaldehyde,4-hydroxy-3-methoxy-, [1R-(1a,3a,4b)]- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Cyclohexanecarboxaldehyde,4-hydroxy-3-methoxy-, [1R-(1a,3a,4b)]- (9CI)
- Cyclohexanecarboxaldehyde, 4-hydroxy-3-methoxy-, [1R-(1alpha,3alpha,4beta)]- (9CI)
- 109466-72-0
- (1R,3R,4R)-4-hydroxy-3-methoxycyclohexane-1-carbaldehyde
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- Inchi： 1S/C8H14O3/c1-11-8-4-6(5-9)2-3-7(8)10/h5-8,10H,2-4H2,1H3/t6-,7-,8-/m1/s1
- InChI Key： DCDFGPPEPDQMPO-BWZBUEFSSA-N
- SMILES： O(C)[C@H]1[C@@H](CC[C@@H](C=O)C1)O
Computed Properties
- Exact Mass: 158.09432
- Monoisotopic Mass: 158.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 135
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.2
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Cyclohexanecarboxaldehyde,4-hydroxy-3-methoxy-, [1R-(1a,3a,4b)]- (9CI) Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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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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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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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Jason Wan Lab Chip, 2020,20, 4528-4538
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