Cas no 103425-30-5 (2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-(3-methyl-2-buten-1-yl)-)
103425-30-5 structure
Product Name:2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-(3-methyl-2-buten-1-yl)-
CAS No:103425-30-5
MF:C11H12O4
MW:208.210583686829
CID:178669
PubChem ID:263533
Update Time:2025-04-19
2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-(3-methyl-2-buten-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-(3-methyl-2-buten-1-yl)-
- 2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-(3-methyl-2-butenyl)-(9CI)
- Boviquinone 1
- NSC 98025
- NCIOpen2_006118
- 2,5-dihydroxy-3-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione
- NSC-98025
- 103425-30-5
- NSC98025
- 2,5-dihydroxy-3-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione
-
- Inchi: 1S/C11H12O4/c1-6(2)3-4-7-10(14)8(12)5-9(13)11(7)15/h3,5,12,15H,4H2,1-2H3
- InChI Key: LNPOBZXHXCFWNX-UHFFFAOYSA-N
- SMILES: OC1C(C=C(C(C=1C/C=C(\C)/C)=O)O)=O
Computed Properties
- Exact Mass: 208.07356
- Monoisotopic Mass: 208.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 406
- 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: 1.7
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-(3-methyl-2-buten-1-yl)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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