Cas no 63231-89-0 (Benzenemethanol, 3-chloro-4-methoxy-5-methyl-)
63231-89-0 structure
Product Name:Benzenemethanol, 3-chloro-4-methoxy-5-methyl-
CAS No:63231-89-0
MF:C9H11ClO2
MW:186.635442018509
CID:426976
PubChem ID:71381353
Update Time:2025-04-19
Benzenemethanol, 3-chloro-4-methoxy-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 3-chloro-4-methoxy-5-methyl-
- (3-chloro-4-methoxy-5-methylphenyl)methanol
- DTXSID70803808
- 63231-89-0
-
- Inchi： 1S/C9H11ClO2/c1-6-3-7(5-11)4-8(10)9(6)12-2/h3-4,11H,5H2,1-2H3
- InChI Key： HADQCRUGIIWIDJ-UHFFFAOYSA-N
- SMILES： ClC1C=C(CO)C=C(C)C=1OC
Computed Properties
- Exact Mass: 186.04483
- Monoisotopic Mass: 186.0447573g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 141
- 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
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.46
Benzenemethanol, 3-chloro-4-methoxy-5-methyl- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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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
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