Cas no 61441-03-0 ( )
structure
Product Name:
CAS No:61441-03-0
MF:C16H14O4
MW:270.279964923859
CID:954500
PubChem ID:329383
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2,3-dimethoxy-5H-benzo[d][2]benzoxepin-7-one
- 9,10-dimethoxy-7H-dibenzo[c,e]oxepin-5-one
- 9,10-Dimethoxydiphenid
- AC1L74MM
- NSC311732
- 61441-03-0
- NSC-311732
- DTXSID60317146
- 9,10-Dimethoxydibenzo[c,e]oxepin-5(7H)-one
-
-
- Inchi： 1S/C16H14O4/c1-18-14-7-10-9-20-16(17)12-6-4-3-5-11(12)13(10)8-15(14)19-2/h3-8H,9H2,1-2H3
- InChI Key： URZWJGSWUIAVKN-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC=CC=2C2C=C(C(=CC=2C1)OC)OC)=O
Computed Properties
- Exact Mass: 270.08922
- Monoisotopic Mass: 270.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 356
- 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: 2.9
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
- LogP: 3.04120
Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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