Cas no 2373-34-4 (2H-1-Benzopyran-2-one,5-hydroxy-4-methyl-)
2373-34-4 structure
Product Name:2H-1-Benzopyran-2-one,5-hydroxy-4-methyl-
CAS No:2373-34-4
MF:C10H8O3
MW:176.168723106384
CID:287972
PubChem ID:5357544
Update Time:2025-04-19
2H-1-Benzopyran-2-one,5-hydroxy-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-2-one,5-hydroxy-4-methyl-
- KZTGTVVRGQELJS-UHFFFAOYSA-N
- 5-hydroxy-4-methylcoumarin
- 1-Methyl-5-hydroxy-cumarin
- NSC-80666
- 2373-34-4
- NSC80666
- DTXSID50418272
- SCHEMBL4930754
- CCG-40370
- 5-hydroxy-4-methyl-2H-1-benzopyran-2-one
-
- Inchi： 1S/C10H8O3/c1-6-5-9(12)13-8-4-2-3-7(11)10(6)8/h2-5,11H,1H3
- InChI Key： KZTGTVVRGQELJS-UHFFFAOYSA-N
- SMILES： O1C(C=C(C)C2C(=CC=CC1=2)O)=O
Computed Properties
- Exact Mass: 176.04734
- Monoisotopic Mass: 176.047344113g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 257
- 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: 1.5
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
2H-1-Benzopyran-2-one,5-hydroxy-4-methyl- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
2373-34-4 (2H-1-Benzopyran-2-one,5-hydroxy-4-methyl-) Related Products
- 2555-28-4(4-Methylherniarin)
- 90-33-5(4-Methylumbelliferone)
- 2107-77-9(4-Methyldaphnetin)
- 2373-31-1(6-Hydroxy-4-methylcoumarin)
- 529-84-0(4-Methylesculetin)
- 607-71-6(4-Methylcoumarin)
- 2747-05-9(4-Methylumbelliferyl acetate)
- 484-12-8(Osthole)
- 87-05-8(7-Ethoxy-4-methylcoumarin)
- 2107-76-8(5,7-Dihydroxy-4-methylcoumarin)
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