Cas no 56105-29-4 ((e)-3-(1,3-benzodioxol-5-yl)-1-cyclopropylprop-2-en-1-one)
56105-29-4 structure
Product Name:(e)-3-(1,3-benzodioxol-5-yl)-1-cyclopropylprop-2-en-1-one
CAS No:56105-29-4
MF:C13H12O3
MW:216.232583999634
CID:944925
PubChem ID:6037657
Update Time:2025-04-19
(e)-3-(1,3-benzodioxol-5-yl)-1-cyclopropylprop-2-en-1-one Chemical and Physical Properties
Names and Identifiers
-
- (e)-3-(1,3-benzodioxol-5-yl)-1-cyclopropylprop-2-en-1-one
- AC1O0EDD
- NSC308806
- NSC-308806
- MLS003115862
- 56105-29-4
- DTXSID50421761
- SCHEMBL11390875
-
- Inchi： 1S/C13H12O3/c14-11(10-3-4-10)5-1-9-2-6-12-13(7-9)16-8-15-12/h1-2,5-7,10H,3-4,8H2/b5-1+
- InChI Key： NWDSUOFLOXFSEW-ORCRQEGFSA-N
- SMILES： O=C(/C=C/C1=CC=C2C(=C1)OCO2)C1CC1
Computed Properties
- Exact Mass: 216.07866
- Monoisotopic Mass: 216.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 306
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
- LogP: 2.40760
(e)-3-(1,3-benzodioxol-5-yl)-1-cyclopropylprop-2-en-1-one Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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4. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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