Cas no 61234-65-9 (9H-Xanthen-9-one, 1-hydroxy-6-methoxy-5-methyl-)
61234-65-9 structure
Product Name:9H-Xanthen-9-one, 1-hydroxy-6-methoxy-5-methyl-
CAS No:61234-65-9
MF:C15H12O4
MW:256.253384590149
CID:487507
PubChem ID:71397921
Update Time:2025-04-19
9H-Xanthen-9-one, 1-hydroxy-6-methoxy-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Xanthen-9-one, 1-hydroxy-6-methoxy-5-methyl-
- 1-hydroxy-6-methoxy-5-methylxanthen-9-one
- DTXSID90819380
- 61234-65-9
- 1-HYDROXY-6-METHOXY-5-METHYL-9H-XANTHEN-9-ONE
-
- Inchi： 1S/C15H12O4/c1-8-11(18-2)7-6-9-14(17)13-10(16)4-3-5-12(13)19-15(8)9/h3-7,16H,1-2H3
- InChI Key： NQFIQGVBIUSEGA-UHFFFAOYSA-N
- SMILES： O1C2C=CC=C(C=2C(C2C=CC(=C(C)C1=2)OC)=O)O
Computed Properties
- Exact Mass: 256.07356
- Monoisotopic Mass: 256.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- 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: 3.5
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.76
9H-Xanthen-9-one, 1-hydroxy-6-methoxy-5-methyl- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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