Cas no 162131-23-9 (1,2-Benzenediol,4-(1-methylhexyl)-)
162131-23-9 structure
Product Name:1,2-Benzenediol,4-(1-methylhexyl)-
CAS No:162131-23-9
MF:C13H20O2
MW:208.296704292297
CID:109909
PubChem ID:45093081
Update Time:2025-04-18
1,2-Benzenediol,4-(1-methylhexyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediol,4-(1-methylhexyl)-
- 4-heptan-2-ylbenzene-1,2-diol
- 1,2-Benzenediol,4-(1-methylhexyl)-(9CI)
- 162131-23-9
- SCHEMBL23920298
-
- Inchi： 1S/C13H20O2/c1-3-4-5-6-10(2)11-7-8-12(14)13(15)9-11/h7-10,14-15H,3-6H2,1-2H3
- InChI Key： ZRSMGFNYNFITIN-UHFFFAOYSA-N
- SMILES： OC1=C(C=CC(=C1)C(C)CCCCC)O
Computed Properties
- Exact Mass: 208.146
- Monoisotopic Mass: 208.146
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 170
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 40.5A^2
1,2-Benzenediol,4-(1-methylhexyl)- Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
162131-23-9 (1,2-Benzenediol,4-(1-methylhexyl)-) Related Products
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