Cas no 117783-75-2 (3',5-dihydroxy-4',7-dimethoxy-4-phenylcoumarin)
117783-75-2 structure
Product Name:3',5-dihydroxy-4',7-dimethoxy-4-phenylcoumarin
CAS No:117783-75-2
MF:C17H14O6
MW:314.289465427399
CID:2075006
PubChem ID:14159730
Update Time:2025-04-21
3',5-dihydroxy-4',7-dimethoxy-4-phenylcoumarin Chemical and Physical Properties
Names and Identifiers
-
- 3',5-dihydroxy-4',7-dimethoxy-4-phenylcoumarin
- 7,4-dimethoxy-5,3'-dihydroxy-4'-phenylcoumarin
- 117783-75-2
- CHEMBL513547
- 5-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-2-one
- LMPK12100046
- 5,3'-Dihydroxy-7,4'-dimethoxy-4-phenylcoumarin
-
- Inchi： 1S/C17H14O6/c1-21-10-6-13(19)17-11(8-16(20)23-15(17)7-10)9-3-4-14(22-2)12(18)5-9/h3-8,18-19H,1-2H3
- InChI Key： XFJIBWUKHVUGHD-UHFFFAOYSA-N
- SMILES： COC1C=C2C(C(C3C=C(O)C(OC)=CC=3)=CC(O2)=O)=C(O)C=1
Computed Properties
- Exact Mass: 314.07903816Da
- Monoisotopic Mass: 314.07903816Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 476
- 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: 2.3
- Topological Polar Surface Area: 85.2?2
3',5-dihydroxy-4',7-dimethoxy-4-phenylcoumarin Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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