Cas no 18113-22-9 ( )
structure
Product Name:
CAS No:18113-22-9
MF:C8H9ClO3
MW:188.608261823654
CID:906934
PubChem ID:13879728
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2,6-DIMETHOXY-3-CHLOROPHENOL
- 3-chloro-2,6-dimethoxyphenol
- 3-Chlor-2,6-dimethoxy-phenol
- 3-chloro-2,6-dimethoxy-phenol
- 3-chlorosyringol
- 4-Chlor-pyrogallol-1.3-dimethylaether
- Phenol,3-chloro-2,6-dimethoxy
- Phenol,chloro-2,6-dimethoxy
- 18113-22-9
- DB-082516
- DTXSID70551796
- chlorosyringol
- Phenol, 3-chloro-2,6-dimethoxy-
-
-
- Inchi： 1S/C8H9ClO3/c1-11-6-4-3-5(9)8(12-2)7(6)10/h3-4,10H,1-2H3
- InChI Key： WYEMCZZCZXKDNC-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C(=C1OC)O)OC
Computed Properties
- Exact Mass: 188.02400
- Monoisotopic Mass: 188.0240218g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 142
- 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: 2.1
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- Density: 1.276
- Boiling Point: 272.398°C at 760 mmHg
- Flash Point: 118.543°C
- Refractive Index: 1.54
- PSA: 38.69000
- LogP: 2.06280
Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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