Cas no 56014-69-8 (1(3H)-Isobenzofuranone,3-(2-methylpropylidene)-, (3E)-)
56014-69-8 structure
Product Name:1(3H)-Isobenzofuranone,3-(2-methylpropylidene)-, (3E)-
CAS No:56014-69-8
MF:C12H12O2
MW:188.222483634949
CID:377314
PubChem ID:6436620
Update Time:2025-04-19
1(3H)-Isobenzofuranone,3-(2-methylpropylidene)-, (3E)- Chemical and Physical Properties
Names and Identifiers
-
- 1(3H)-Isobenzofuranone,3-(2-methylpropylidene)-, (3E)-
- (3Z)-3-(2-methylpropylidene)-2-benzofuran-1-one
- (E)-3-isobutylidenephthalide
- EINECS 259-944-9
- CHEBI:172087
- 3-(2-Methylpropylidene)-(3E)-1(3H)-Isobenzofuranone
- (3E)-3-(2-methylpropylidene)-1,3-dihydro-2-benzofuran-1-one
- 3-Isobutylidene phthalide, trans-
- DTXSID10886190
- trans-3-Isobutylidene phthalide
- 3-Isobutylidenephthalide
- 2-Methylpropylidenephthalide (Z)
- EINECS 289-423-1
- 3-(2-Methylpropylidene)-1(3H)-isobenzofuranone, (E)-
- 56014-69-8
- (3E)-3-(2-methylpropylidene)-2-benzouran-1-one
- (3E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone
- 2-Methylpropylidenephthalide (E)
- 56014-87-0
- EINECS 259-945-4
- 88542-70-5
- (Z)-3-(Isobutylidene)phthalide
- 1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3E)-
- (E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone
- 1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3Z)-
- 3B5LZS9A3H
-
- Inchi： 1S/C12H12O2/c1-8(2)7-11-9-5-3-4-6-10(9)12(13)14-11/h3-8H,1-2H3/b11-7+
- InChI Key： LYSNVWBBICAAMS-YRNVUSSQSA-N
- SMILES： O1C(C2C=CC=CC=2/C/1=C\C(C)C)=O
Computed Properties
- Exact Mass: 188.08400
- Monoisotopic Mass: 188.08373
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 266
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- XLogP3: 3
Experimental Properties
- Density: 1.201
- Boiling Point: 304.7°C at 760 mmHg
- Flash Point: 124.4°C
- Refractive Index: 1.628
- PSA: 26.30000
- LogP: 2.85390
1(3H)-Isobenzofuranone,3-(2-methylpropylidene)-, (3E)- Related Literature
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1. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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2. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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