Cas no 108221-59-6 (2H-1-Benzopyran-2-one,6,7-dihydroxy-8-methoxy-)
108221-59-6 structure
Product Name:2H-1-Benzopyran-2-one,6,7-dihydroxy-8-methoxy-
CAS No:108221-59-6
MF:C10H8O5
MW:208.167523384094
CID:127862
PubChem ID:13704001
Update Time:2025-04-18
2H-1-Benzopyran-2-one,6,7-dihydroxy-8-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-2-one,6,7-dihydroxy-8-methoxy-
- 2H-1-Benzopyran-2-one,6,7-dihydroxy-8-methoxy-(9CI)
- 4-phenylesculetin
- 6,7-Dihydroxy-4-phenyl-2H
- 6,7-dihydroxy-4-phenyl-chromen-2-one
- 6,7-dihydroxy-4-phenyl-coumarin
- 6,7-Dihydroxy-4-phenylcoumarin
- 6,7-Dihydroxy-4-phenyl-cumarin
- 6,7-dihydroxy-8-methoxy-coumarin
- 6,7-Dihydroxy-8-methoxycoumarin
- 6,7-Dihydroxy-8-methoxycumarin
- 6,7-Dihydroxy-8-methoxy-cumarin
- AC1NSZ6F
- CBDivE_012029
- CHEMBL1255818
- nordalbergin
- Oprea1_012343
- 108221-59-6
- 6,7-dihydroxy-8-methoxychromen-2-one
- 6,7-Dihydroxy-8-methoxy-2H-chromen-2-one
-
- Inchi： 1S/C10H8O5/c1-14-10-8(13)6(11)4-5-2-3-7(12)15-9(5)10/h2-4,11,13H,1H3
- InChI Key： CNRQIGWFHQJJRO-UHFFFAOYSA-N
- SMILES： O1C(C=CC2C=C(C(=C(C1=2)OC)O)O)=O
Computed Properties
- Exact Mass: 208.03714
- Monoisotopic Mass: 208.03717335g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 288
- 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: 1.2
- Topological Polar Surface Area: 76?2
Experimental Properties
- PSA: 75.99
- LogP: 1.21280
2H-1-Benzopyran-2-one,6,7-dihydroxy-8-methoxy- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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