Cas no 95835-73-7 (2H-1-Benzopyran-2-one, 4-hydroxy-5,8-dimethyl-)
95835-73-7 structure
Product Name:2H-1-Benzopyran-2-one, 4-hydroxy-5,8-dimethyl-
CAS No:95835-73-7
MF:C11H10O3
MW:190.195303440094
CID:751652
PubChem ID:54707777
Update Time:2025-04-19
2H-1-Benzopyran-2-one, 4-hydroxy-5,8-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-2-one, 4-hydroxy-5,8-dimethyl-
- 4-hydroxy-5,8-dimethylchromen-2-one
- DTXSID90716108
- 4-Hydroxy-5,8-dimethyl-2H-1-benzopyran-2-one
- SCHEMBL5341491
- 95835-73-7
- 4-hydroxy-5,8-dimethylcoumarin
-
- Inchi： 1S/C11H10O3/c1-6-3-4-7(2)11-10(6)8(12)5-9(13)14-11/h3-5,12H,1-2H3
- InChI Key： ONICPWZWEWWBGK-UHFFFAOYSA-N
- SMILES： O1C(C=C(C2C(C)=CC=C(C)C1=2)O)=O
Computed Properties
- Exact Mass: 190.063
- Monoisotopic Mass: 190.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 282
- 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
- Topological Polar Surface Area: 46.5A^2
- XLogP3: 2
2H-1-Benzopyran-2-one, 4-hydroxy-5,8-dimethyl- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
95835-73-7 (2H-1-Benzopyran-2-one, 4-hydroxy-5,8-dimethyl-) Related Products
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