Cas no 126091-37-0 (3-Propan-2-yl-2,3-dihydroisoindol-1-one)
126091-37-0 structure
Product Name:3-Propan-2-yl-2,3-dihydroisoindol-1-one
CAS No:126091-37-0
MF:C11H13NO
MW:175.227022886276
CID:855772
PubChem ID:45096659
Update Time:2024-02-29
3-Propan-2-yl-2,3-dihydroisoindol-1-one Chemical and Physical Properties
Names and Identifiers
-
- 1H-Isoindol-1-one,2,3-dihydro-3-(1-methylethyl)-(9CI)
- 3-Isopropylisoindolin-1-one
- 3-Propan-2-yl-2,3-dihydroisoindol-1-one
-
- Inchi： 1S/C11H13NO/c1-7(2)10-8-5-3-4-6-9(8)11(13)12-10/h3-7,10H,1-2H3,(H,12,13)
- InChI Key： PGUXFHVBRYSFMC-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC=CC=2C(C(C)C)N1
Computed Properties
- Exact Mass: 175.099714038g/mol
- Monoisotopic Mass: 175.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 212
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 29.1
3-Propan-2-yl-2,3-dihydroisoindol-1-one Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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