Cas no 55004-80-3 (2H-1-Benzopyran-2-one, 4-hydroxy-5,6,7-trimethyl-)
55004-80-3 structure
Product Name:2H-1-Benzopyran-2-one, 4-hydroxy-5,6,7-trimethyl-
CAS No:55004-80-3
MF:C12H12O3
MW:204.221883773804
CID:353090
PubChem ID:54732117
Update Time:2025-04-19
2H-1-Benzopyran-2-one, 4-hydroxy-5,6,7-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-2-one, 4-hydroxy-5,6,7-trimethyl-
- 4-hydroxy-5,6,7-trimethylchromen-2-one
- DTXSID70716388
- SCHEMBL11851931
- 4-Hydroxy-5,6,7-trimethyl-2H-1-benzopyran-2-one
- SKASSVARNXDRMC-UHFFFAOYSA-N
- 4-hydroxy-5,6,7-trimethylcoumarin
- 55004-80-3
-
- Inchi： 1S/C12H12O3/c1-6-4-10-12(8(3)7(6)2)9(13)5-11(14)15-10/h4-5,13H,1-3H3
- InChI Key： SKASSVARNXDRMC-UHFFFAOYSA-N
- SMILES： O1C(C=C(C2=C1C=C(C)C(C)=C2C)O)=O
Computed Properties
- Exact Mass: 204.07866
- Monoisotopic Mass: 204.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 308
- 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: 2.4
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
2H-1-Benzopyran-2-one, 4-hydroxy-5,6,7-trimethyl- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
55004-80-3 (2H-1-Benzopyran-2-one, 4-hydroxy-5,6,7-trimethyl-) Related Products
- 1983-81-9(2H-1-Benzopyran-2-one,4,7-dihydroxy-)
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- 13252-84-1(4-Hydroxy-6-methoxy-2H-chromen-2-one)
- 24631-83-2(4-Hydroxy-8-methyl-2H-chromen-2-one)
- 17575-26-7(4,5,7-Trihydroxy-2H-chromen-2-one)
- 20280-81-3(4-Methoxycoumarin)
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