Cas no 21339-45-7 (ISOBERGAPTOL)
ISOBERGAPTOL structure
Product Name:ISOBERGAPTOL
CAS No:21339-45-7
MF:C11H6O4
MW:202.16294336319
CID:859404
PubChem ID:10198122
Update Time:2025-04-19
ISOBERGAPTOL Chemical and Physical Properties
Names and Identifiers
-
- ISOBERGAPTOL
- 5-Hydroxy-2H-furo[2,3-h]-1-benzopyran-2-one
- 5-Hydroxyangelicin
-
- Inchi： 1S/C11H6O4/c12-8-5-9-7(3-4-14-9)11-6(8)1-2-10(13)15-11/h1-5,12H
- InChI Key： OOWBIFOFDYBTAE-UHFFFAOYSA-N
- SMILES： OC1C2=C(OC(C=C2)=O)C2=C(OC=C2)C=1
Computed Properties
- Exact Mass: 202.02700
- Monoisotopic Mass: 202.02660867g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 312
- 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: 1.7
- Topological Polar Surface Area: 59.7?2
Experimental Properties
- Density: 1.526
- PSA: 63.58000
- LogP: 2.24480
ISOBERGAPTOL Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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