Cas no 62268-54-6 (2,5-Cyclohexadien-1-one, 2,3-dimethyl-4-(phenylimino)-)
62268-54-6 structure
Product Name:2,5-Cyclohexadien-1-one, 2,3-dimethyl-4-(phenylimino)-
CAS No:62268-54-6
MF:C14H13NO
MW:211.259123563766
CID:451715
PubChem ID:71388089
Update Time:2025-04-19
2,5-Cyclohexadien-1-one, 2,3-dimethyl-4-(phenylimino)- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadien-1-one, 2,3-dimethyl-4-(phenylimino)-
- 2,3-dimethyl-4-phenyliminocyclohexa-2,5-dien-1-one
- (4E)-2,3-Dimethyl-4-(phenylimino)cyclohexa-2,5-dien-1-one
- DTXSID40810165
- 62268-54-6
-
- Inchi： 1S/C14H13NO/c1-10-11(2)14(16)9-8-13(10)15-12-6-4-3-5-7-12/h3-9H,1-2H3/b15-13+
- InChI Key： JYEJITUFZPAVKM-FYWRMAATSA-N
- SMILES： O=C1C=C/C(/C(C)=C1C)=N\C1C=CC=CC=1
Computed Properties
- Exact Mass: 211.09979
- Monoisotopic Mass: 211.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 382
- 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
- XLogP3: 2.6
- Topological Polar Surface Area: 29.4?2
Experimental Properties
- PSA: 29.43
2,5-Cyclohexadien-1-one, 2,3-dimethyl-4-(phenylimino)- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
62268-54-6 (2,5-Cyclohexadien-1-one, 2,3-dimethyl-4-(phenylimino)-) Related Products
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