Cas no 2525-09-9 (1,2-Benzenediol, 4-(3-methylbutyl)-)
2525-09-9 structure
Product Name:1,2-Benzenediol, 4-(3-methylbutyl)-
CAS No:2525-09-9
MF:C11H16O2
MW:180.243543624878
CID:1421399
Update Time:2024-08-15
1,2-Benzenediol, 4-(3-methylbutyl)- Chemical and Physical Properties
Names and Identifiers
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- 1,2-Benzenediol, 4-(3-methylbutyl)-
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- Inchi： 1S/C11H16O2/c1-8(2)3-4-9-5-6-10(12)11(13)7-9/h5-8,12-13H,3-4H2,1-2H3
- InChI Key： VOFLYCDTJDORBN-UHFFFAOYSA-N
- SMILES： C1(O)=CC=C(CCC(C)C)C=C1O
Computed Properties
- Exact Mass: 180.11508
- Monoisotopic Mass: 180.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 145
- 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: 3.2
- Topological Polar Surface Area: 40.5A^2
Experimental Properties
- Density: 1.066±0.06 g/cm3(Predicted)
- Melting Point: 55.5-58.5 °C
- Boiling Point: 155-160 °C(Press: 6 Torr)
- PSA: 40.46
- pka: 9.90±0.10(Predicted)
1,2-Benzenediol, 4-(3-methylbutyl)- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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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Jason Wan Lab Chip, 2020,20, 4528-4538
2525-09-9 (1,2-Benzenediol, 4-(3-methylbutyl)-) Related Products
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- 30749-25-8(Phenol,3-(2-methylpropyl)-)
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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