Cas no 1027823-65-9 (1,3-Dihydroisobenzofuran-5-carbonitrile)
1027823-65-9 structure
Product Name:1,3-Dihydroisobenzofuran-5-carbonitrile
CAS No:1027823-65-9
MF:C9H7NO
MW:145.157982110977
CID:6641746
PubChem ID:11389458
Update Time:2024-01-29
1,3-Dihydroisobenzofuran-5-carbonitrile Chemical and Physical Properties
Names and Identifiers
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- SCHEMBL2809825
- 1,3-dihydroisobenzofuran-5-carbonitrile
- 1,3-dihydro-5-isobenzofuran carbonitrile
- 5-phthalan carbonitrile
- 1027823-65-9
- AT35675
- AKOS013054068
- ZLXJXAMSNFFEFG-UHFFFAOYSA-N
- 1,3-Dihydroisobenzofuran-5-carbonitrile
-
- Inchi： 1S/C9H7NO/c10-4-7-1-2-8-5-11-6-9(8)3-7/h1-3H,5-6H2
- InChI Key： ZLXJXAMSNFFEFG-UHFFFAOYSA-N
- SMILES： O1CC2C=CC(C#N)=CC=2C1
Computed Properties
- Exact Mass: 145.052763847g/mol
- Monoisotopic Mass: 145.052763847g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 193
- 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: 0.9
- Topological Polar Surface Area: 33?2
1,3-Dihydroisobenzofuran-5-carbonitrile Related Literature
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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