Cas no 154713-84-5 (1H-2-Benzopyran-1,3(4H)-dione,7-methyl-)
154713-84-5 structure
Product Name:1H-2-Benzopyran-1,3(4H)-dione,7-methyl-
CAS No:154713-84-5
MF:C10H8O3
MW:176.168723106384
CID:106684
PubChem ID:45117217
Update Time:2025-04-18
1H-2-Benzopyran-1,3(4H)-dione,7-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-2-Benzopyran-1,3(4H)-dione,7-methyl-
- 1H-2-Benzopyran-1,3(4H)-dione,7-methyl-(9CI)
- SCHEMBL2336115
- 7-Methylisochroman-1,3-dione
- OPECHWNBIKSYDC-UHFFFAOYSA-N
- 7-Methyl-3,4-dihydro-1H-2-benzopyran-1,3-dione
- 7-Methylisochromane-1,3-dione
- 154713-84-5
- CS-0140395
- 7-methyl-4H-isochromene-1,3-dione
- 4-methylhomophthalic anhydride
-
- Inchi： 1S/C10H8O3/c1-6-2-3-7-5-9(11)13-10(12)8(7)4-6/h2-4H,5H2,1H3
- InChI Key： OPECHWNBIKSYDC-UHFFFAOYSA-N
- SMILES： O1C(CC2C=CC(C)=CC=2C1=O)=O
Computed Properties
- Exact Mass: 176.047
- Monoisotopic Mass: 176.047
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 247
- 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: 43.4A^2
- XLogP3: 1.6
1H-2-Benzopyran-1,3(4H)-dione,7-methyl- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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