Cas no 61000-06-4 (Benzene, 1-ethyl-4-methoxy-2-methyl-)
61000-06-4 structure
Product Name:Benzene, 1-ethyl-4-methoxy-2-methyl-
CAS No:61000-06-4
MF:C10H14O
MW:150.217563152313
CID:494584
PubChem ID:12540301
Update Time:2025-04-19
Benzene, 1-ethyl-4-methoxy-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-ethyl-4-methoxy-2-methyl-
- 1-ethyl-4-methoxy-2-methylBenzene
-
- Inchi： 1S/C10H14O/c1-4-9-5-6-10(11-3)7-8(9)2/h5-7H,4H2,1-3H3
- InChI Key： RVZTXPNWMVCLCT-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(CC)=C(C)C=1
Computed Properties
- Exact Mass: 150.10452
- Monoisotopic Mass: 150.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 111
- 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: 3.1
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, 1-ethyl-4-methoxy-2-methyl- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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