Cas no 101432-05-7 (1,2-Benzenediol, 4,4'-(1,4-butanediyl)bis-)
101432-05-7 structure
Product Name:1,2-Benzenediol, 4,4'-(1,4-butanediyl)bis-
CAS No:101432-05-7
MF:C16H18O4
MW:274.311725139618
CID:1129396
PubChem ID:14852609
Update Time:2025-04-20
1,2-Benzenediol, 4,4'-(1,4-butanediyl)bis- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediol, 4,4'-(1,4-butanediyl)bis-
- 1,4-BIS(3,4-DIHYDROXYPHENYL)BUTANE
- 4-[4-(3,4-dihydroxyphenyl)butyl]benzene-1,2-diol
- 4-(4-(3,4-dihydroxyphenyl)butyl)benzene-1,2-diol
- 4,4'-(Butane-1,4-diyl)di(benzene-1,2-diol)
- DTXSID50564723
- BDBM50212958
- CHEMBL245952
- SCHEMBL2307446
- 101432-05-7
-
- Inchi： 1S/C16H18O4/c17-13-7-5-11(9-15(13)19)3-1-2-4-12-6-8-14(18)16(20)10-12/h5-10,17-20H,1-4H2
- InChI Key： JMYXNUMGPRHHBC-UHFFFAOYSA-N
- SMILES： OC1=C(C=CC(=C1)CCCCC1C=CC(=C(C=1)O)O)O
Computed Properties
- Exact Mass: 274.12054
- Monoisotopic Mass: 274.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 256
- 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: 3.7
- Topological Polar Surface Area: 80.9?2
Experimental Properties
- PSA: 80.92
1,2-Benzenediol, 4,4'-(1,4-butanediyl)bis- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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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
101432-05-7 (1,2-Benzenediol, 4,4'-(1,4-butanediyl)bis-) Related Products
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