Cas no 68027-81-6 (3,3''-oxybis(5-methylbenzene-1,2-diol))
68027-81-6 structure
Product Name:3,3''-oxybis(5-methylbenzene-1,2-diol)
CAS No:68027-81-6
MF:C14H14O5
MW:262.257964611053
CID:968350
PubChem ID:100615
Update Time:2025-04-19
3,3''-oxybis(5-methylbenzene-1,2-diol) Chemical and Physical Properties
Names and Identifiers
-
- 3,3''-oxybis(5-methylbenzene-1,2-diol)
- 3-(2,3-dihydroxy-5-methylphenoxy)-5-methylbenzene-1,2-diol
- 3,3'-OXYBIS(5-METHYLCATECHOL)
- AC1Q56CN
- AG-G-59086
- aspermutarubrol
- ETHERICIN A
- NSC330927
- violaceol i
- violaceol-I
- violacerol-I
- NSC-330927
- Aspermutarubol
- MEGxm0_000129
- NCI60_002901
- AKOS040734536
- ACon0_000595
- 3,3'-Oxybis[5-methyl-1,2-benzenediol]
- Q27133271
- 6,6'-Oxybis(4-methylbenzene-1,2-diol)
- ACon1_000731
- UNII-6PZ85EB2LJ
- DTXSID10218215
- 3,3'-oxybis(5-methylbenzene-1,2-diol)
- 68027-81-6
- NSC 330927
- CHEMBL2000711
- 6PZ85EB2LJ
- NCGC00169413-01
- CHEBI:64415
- 3,3'-Oxybis(5-methyl-1,2-benzenediol)
- 1,2-Benzenediol, 3,3'-oxybis(5-methyl-
- SCHEMBL26627967
-
- Inchi： 1S/C14H14O5/c1-7-3-9(15)13(17)11(5-7)19-12-6-8(2)4-10(16)14(12)18/h3-6,15-18H,1-2H3
- InChI Key： YRZXKRQRZJMBFT-UHFFFAOYSA-N
- SMILES： O(C1=C(C(=CC(C)=C1)O)O)C1=C(C(=CC(C)=C1)O)O
Computed Properties
- Exact Mass: 262.08412
- Monoisotopic Mass: 262.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 270
- 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: 2.8
- Topological Polar Surface Area: 90.2?2
Experimental Properties
- PSA: 90.15
3,3''-oxybis(5-methylbenzene-1,2-diol) Related Literature
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
68027-81-6 (3,3''-oxybis(5-methylbenzene-1,2-diol)) Related Products
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