Cas no 63765-11-7 (2-(1,3-Benzodioxol-5-yl)cyclohexan-1-one)
63765-11-7 structure
Product Name:2-(1,3-Benzodioxol-5-yl)cyclohexan-1-one
CAS No:63765-11-7
MF:C13H14O3
MW:218.248464107513
CID:2791517
PubChem ID:612690
Update Time:2025-04-21
2-(1,3-Benzodioxol-5-yl)cyclohexan-1-one Chemical and Physical Properties
Names and Identifiers
-
- 2-(benzo[d][1,3]dioxol-5-yl)cyclohexan-1-one
- 2-(1,3-Benzodioxol-5-yl)cyclohexanone #
- 2-(3,4-Methylenedioxyphenyl)cyclohexanone
- 2-(3,4-Methylenedioxy)phenylcyclohexanone
- KHSPYLWIVAFDKD-UHFFFAOYSA-N
- DTXSID60346491
- DTXCID90297563
- 63765-11-7
- 2-(1,3-Benzodioxol-5-yl)cyclohexan-1-one
-
- Inchi： 1S/C13H14O3/c14-11-4-2-1-3-10(11)9-5-6-12-13(7-9)16-8-15-12/h5-7,10H,1-4,8H2
- InChI Key： KHSPYLWIVAFDKD-UHFFFAOYSA-N
- SMILES： O=C1CCCCC1C1=CC=C2C(=C1)OCO2
Computed Properties
- Exact Mass: 218.094294304Da
- Monoisotopic Mass: 218.094294304Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 276
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 35.5?2
2-(1,3-Benzodioxol-5-yl)cyclohexan-1-one Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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3. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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