Cas no 146946-21-6 (1(3H)-Isobenzofuranone, 3-butylidene-5-hydroxy-)
146946-21-6 structure
Product Name:1(3H)-Isobenzofuranone, 3-butylidene-5-hydroxy-
CAS No:146946-21-6
MF:C12H12O3
MW:204.221883773804
CID:1323274
PubChem ID:71346083
Update Time:2025-04-20
1(3H)-Isobenzofuranone, 3-butylidene-5-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 1(3H)-Isobenzofuranone, 3-butylidene-5-hydroxy-
- 3-butylidene-5-hydroxy-2-benzofuran-1-one
- 146946-21-6
- DTXSID40772279
- 3-Butylidene-5-hydroxy-2-benzofuran-1(3H)-one
-
- Inchi： 1S/C12H12O3/c1-2-3-4-11-10-7-8(13)5-6-9(10)12(14)15-11/h4-7,13H,2-3H2,1H3
- InChI Key： NRENRLOUWSVYIA-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC(=CC=2C1=CCCC)O)=O
Computed Properties
- Exact Mass: 204.07866
- Monoisotopic Mass: 204.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 283
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.8
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
1(3H)-Isobenzofuranone, 3-butylidene-5-hydroxy- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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