Cas no 86778-46-3 (1,3-Cyclohexadiene-1-carboxaldehyde, 4,6-dimethyl-)
86778-46-3 structure
Product Name:1,3-Cyclohexadiene-1-carboxaldehyde, 4,6-dimethyl-
CAS No:86778-46-3
MF:C9H12O
MW:136.190982818604
CID:660594
PubChem ID:13103863
Update Time:2025-04-19
1,3-Cyclohexadiene-1-carboxaldehyde, 4,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclohexadiene-1-carboxaldehyde, 4,6-dimethyl-
- 4,6-dimethylcyclohexa-1,3-diene-1-carbaldehyde
- 86778-46-3
- DTXSID30518244
-
- Inchi： 1S/C9H12O/c1-7-3-4-9(6-10)8(2)5-7/h3-4,6,8H,5H2,1-2H3
- InChI Key： RWPGGEQITQMYBH-UHFFFAOYSA-N
- SMILES： O=CC1=CC=C(C)CC1C
Computed Properties
- Exact Mass: 136.088815002g/mol
- Monoisotopic Mass: 136.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 199
- 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: 1.6
- Topological Polar Surface Area: 17.1?2
1,3-Cyclohexadiene-1-carboxaldehyde, 4,6-dimethyl- Related Literature
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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5. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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