Cas no 82467-94-5 (1(3H)-Isobenzofuranone, 3-butyl-4,5-dihydro-, (3R)-)
82467-94-5 structure
Product Name:1(3H)-Isobenzofuranone, 3-butyl-4,5-dihydro-, (3R)-
CAS No:82467-94-5
MF:C12H16O2
MW:192.254243850708
CID:2717361
PubChem ID:54753664
Update Time:2024-03-01
1(3H)-Isobenzofuranone, 3-butyl-4,5-dihydro-, (3R)- Chemical and Physical Properties
Names and Identifiers
-
- 1(3H)-Isobenzofuranone, 3-butyl-4,5-dihydro-, (3R)-
- 82467-94-5
- SCHEMBL12440329
- (R)-3-Butyl-4,5-dihydroisobenzofuran-1(3H)-one
-
- Inchi： 1S/C12H16O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7,11H,2-4,6,8H2,1H3/t11-/m1/s1
- InChI Key： ZPIKVDODKLJKIN-LLVKDONJSA-N
- SMILES： C1(=O)C2=C(CCC=C2)[C@@H](CCCC)O1
Computed Properties
- Exact Mass: 192.115029749g/mol
- Monoisotopic Mass: 192.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 299
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 26.3?2
1(3H)-Isobenzofuranone, 3-butyl-4,5-dihydro-, (3R)- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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