Cas no 606494-95-5 ( )
structure
Product Name:
CAS No:606494-95-5
MF:C12H18O3
MW:210.269524097443
CID:953283
PubChem ID:28561781
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- (3-ethoxy-4-propan-2-yloxyphenyl)methanol
- Benzenemethanol, 3-ethoxy-4-(1-methylethoxy)- (9CI)
- BENZENEMETHANOL, 3-ETHOXY-4-(1-METHYLETHOXY)-
- AKOS000247769
- {3-Ethoxy-4-[(propan-2-yl)oxy]phenyl}methanol
- DB-285433
- DTXSID80651498
- SCHEMBL16953715
- 606494-95-5
-
-
- Inchi： 1S/C12H18O3/c1-4-14-12-7-10(8-13)5-6-11(12)15-9(2)3/h5-7,9,13H,4,8H2,1-3H3
- InChI Key： AGLVBRKTQYDLCC-UHFFFAOYSA-N
- SMILES： O(C1C=CC(CO)=CC=1OCC)C(C)C
Computed Properties
- Exact Mass: 210.125594432g/mol
- Monoisotopic Mass: 210.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 170
- 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: 1.8
- Topological Polar Surface Area: 38.7?2
Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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