Cas no 92965-03-2 (2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-(3-hydroxyphenyl)-)
92965-03-2 structure
Product Name:2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-(3-hydroxyphenyl)-
CAS No:92965-03-2
MF:C16H12O4
MW:268.264084815979
CID:752922
PubChem ID:466244
Update Time:2024-03-01
2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-(3-hydroxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-(3-hydroxyphenyl)-
- 3-(1,3-benzodioxol-5-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one
- 3'-Hydroxy-3,4-methylenedioxy chalcone
- COJCBVVHBVEQGB-UHFFFAOYSA-N
- 3'-Hydroxy-3,4-methylenedioxy-chalcone
- 3'- Hydroxy-3,4-methylenedioxy Chalcone
-
- Inchi： 1S/C16H12O4/c17-13-3-1-2-12(9-13)14(18)6-4-11-5-7-15-16(8-11)20-10-19-15/h1-9,17H,10H2
- InChI Key： COJCBVVHBVEQGB-UHFFFAOYSA-N
- SMILES： O1COC2C=CC(C=CC(C3C=CC=C(C=3)O)=O)=CC1=2
Computed Properties
- Exact Mass: 268.074
- Monoisotopic Mass: 268.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 379
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.5
- Topological Polar Surface Area: 55.8
2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-(3-hydroxyphenyl)- Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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