Cas no 66122-71-2 (1H-2-Benzopyran-1-one, 3,4-dihydro-7-methyl-)
66122-71-2 structure
Product Name:1H-2-Benzopyran-1-one, 3,4-dihydro-7-methyl-
CAS No:66122-71-2
MF:C10H10O2
MW:162.185203075409
CID:1709742
PubChem ID:12401181
Update Time:2025-04-21
1H-2-Benzopyran-1-one, 3,4-dihydro-7-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-2-Benzopyran-1-one, 3,4-dihydro-7-methyl-
- 7-methylisochroman-1-one
- 66122-71-2
- MFCD27976150
- SY391697
-
- Inchi： 1S/C10H10O2/c1-7-2-3-8-4-5-12-10(11)9(8)6-7/h2-3,6H,4-5H2,1H3
- InChI Key： CSYMRZLCEOMBAX-UHFFFAOYSA-N
- SMILES： O1C(C2C=C(C)C=CC=2CC1)=O
Computed Properties
- Exact Mass: 162.0681
- Monoisotopic Mass: 162.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 188
- 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: 2.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
1H-2-Benzopyran-1-one, 3,4-dihydro-7-methyl- Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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