Cas no 22220-44-6 (2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-methyl-6-nonyl-)
22220-44-6 structure
Product Name:2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-methyl-6-nonyl-
CAS No:22220-44-6
MF:C16H24O4
MW:280.359365463257
CID:266695
PubChem ID:290489
Update Time:2025-04-19
2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-methyl-6-nonyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-methyl-6-nonyl-
- 2,5-dihydroxy-3-methyl-6-nonylcyclohexa-2,5-diene-1,4-dione
- 2,5-Dihydroxy-3-methyl-6-nonyl-[1,4]benzochinon
- 2,5-dihydroxy-3-methyl-6-nonyl-[1,4]benzoquinone
- A816115
- AC1L6DVN
- AC1Q6BPQ
- AG-J-78721
- AR-1D4331
- CTK4E8924
- NSC154023
- 2,5-dihydroxy-3-methyl-6-n-nonyl-1,4-benzoquinone
- 22220-44-6
- NSC-154023
- DTXSID10302820
-
- Inchi: 1S/C16H24O4/c1-3-4-5-6-7-8-9-10-12-15(19)13(17)11(2)14(18)16(12)20/h17,20H,3-10H2,1-2H3
- InChI Key: STCQCMDMLGSSTG-UHFFFAOYSA-N
- SMILES: OC1C(C(C)=C(C(C=1CCCCCCCCC)=O)O)=O
Computed Properties
- Exact Mass: 280.16752
- Monoisotopic Mass: 280.167
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 8
- Complexity: 443
- 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: 4.7
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- Density: 1.143
- Boiling Point: 415.6°Cat760mmHg
- Flash Point: 219.3°C
- Refractive Index: 1.538
- PSA: 74.6
- LogP: 3.92300
2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-methyl-6-nonyl- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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