Cas no 80463-22-5 (1,4-Benzenedimethanol, a-methyl-)
80463-22-5 structure
Product Name:1,4-Benzenedimethanol, a-methyl-
CAS No:80463-22-5
MF:C9H12O2
MW:152.190382957458
CID:1803432
PubChem ID:578171
Update Time:2024-03-02
1,4-Benzenedimethanol, a-methyl- Chemical and Physical Properties
Names and Identifiers
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- 1,4-Benzenedimethanol, a-methyl-
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- Inchi： 1S/C9H12O2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,10-11H,6H2,1H3
- InChI Key： OZHROFCXIMHHRO-UHFFFAOYSA-N
- SMILES： OC(C)C1C=CC(CO)=CC=1
Computed Properties
- Exact Mass: 152.083729621g/mol
- Monoisotopic Mass: 152.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 106
- 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: 0.6
- Topological Polar Surface Area: 40.5?2
1,4-Benzenedimethanol, a-methyl- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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