Cas no 7508-12-5 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
-
- 2,3-dimethyl-6,7,8,9-tetrahydrobenzocyclohepten-5-one; SureCN10389430; 2,3-dimethyl-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one; 2,3-dimethylbenzosuberone; 2,3-dimethyl-6,7,8,9-tetrahydro-benzocyclohepten-5-one; 2,3-Dimethyl-6,7,8,9-tetrahydro-benzocyclohepten-5-on; NSC401475; 2,3-dimethyl-6,7,8,9-tetrahydro benzocyclohepten-5-one; AC1L80Q2;
- SCHEMBL10389430
- DTXSID40322531
- NSC401475
- 6,7,8,9-tetrahydro-2,3-dimethyl-(5h)-benzocyclohepten-5-one
- NSC-401475
- 2,3-Dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
- 7508-12-5
- SY365618
- MFCD24217555
-
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- Inchi： 1S/C13H16O/c1-9-7-11-5-3-4-6-13(14)12(11)8-10(9)2/h7-8H,3-6H2,1-2H3
- InChI Key： XJBHFHGGRYANDX-UHFFFAOYSA-N
- SMILES： O=C1C2C=C(C)C(C)=CC=2CCCC1
Computed Properties
- Exact Mass: 188.12018
- Monoisotopic Mass: 188.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 221
- 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: 3.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
7508-12-5 ( ) Related Products
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