Cas no 7403-06-7 ( )
structure
Product Name:
CAS No:7403-06-7
MF:C16H22O4
MW:278.343485355377
CID:978835
PubChem ID:343848
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- AC1L7Z8T; o-Phenylen-di-isobuttersaeure-dimethylester; Dimethyl-o-phenylen-diisobutyrat; NSC400373; CTK2H8273; methyl 2-[2-(2-methoxycarbonylpropan-2-yl)phenyl]-2-methyl-propanoate;
- NSC400373
- NSC-400373
- DTXSID30322085
- 7403-06-7
- methyl 2-[2-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl]-2-methylpropanoate
- DS-000735
- methyl 2-[2-(2-methoxycarbonylpropan-2-yl)phenyl]-2-methyl-propanoate
-
-
- Inchi： 1S/C16H22O4/c1-15(2,13(17)19-5)11-9-7-8-10-12(11)16(3,4)14(18)20-6/h7-10H,1-6H3
- InChI Key： DUZYNNWVBBTJIV-UHFFFAOYSA-N
- SMILES： O(C)C(C(C)(C)C1C=CC=CC=1C(C(=O)OC)(C)C)=O
Computed Properties
- Exact Mass: 278.15186
- Monoisotopic Mass: 278.15180918g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 335
- 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: 3.4
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 1.059
- Boiling Point: 341.3°C at 760 mmHg
- Flash Point: 159.5°C
- Refractive Index: 1.488
- PSA: 52.6
Related Literature
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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