Cas no 142309-47-5 (4-Isobenzofurancarboxylicacid, 1,3-dihydro-3-hydroxy-7-methoxy-6-methyl-1-oxo- (9CI))
142309-47-5 structure
Product Name:4-Isobenzofurancarboxylicacid, 1,3-dihydro-3-hydroxy-7-methoxy-6-methyl-1-oxo- (9CI)
CAS No:142309-47-5
MF:C11H10O6
MW:238.193503856659
CID:175789
PubChem ID:178650
Update Time:2025-04-19
4-Isobenzofurancarboxylicacid, 1,3-dihydro-3-hydroxy-7-methoxy-6-methyl-1-oxo- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 4-Isobenzofurancarboxylicacid, 1,3-dihydro-3-hydroxy-7-methoxy-6-methyl-1-oxo- (9CI)
- 3-hydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carboxylic acid
- 3-Hydroxy-7-methoxy-6-methyl-1-oxo-1,3-dihydro-2-benzofuran-4-carboxylic acid
- DTXSID00931406
- SCHEMBL9727074
- 4-Isobenzofurancarboxylic acid, 1,3-dihydro-3-hydroxy-7-methoxy-6-methyl-1-oxo-
- 142309-47-5
- Convolvulanic acid A
- 3-Hydroxy-7-methoxy-6-methyl-1-oxo-1,3-dihydroisobenzofuran-4-carboxylic acid
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- Inchi： 1S/C11H10O6/c1-4-3-5(9(12)13)6-7(8(4)16-2)11(15)17-10(6)14/h3,10,14H,1-2H3,(H,12,13)
- InChI Key： NMTBHJJZDBPWDC-UHFFFAOYSA-N
- SMILES： O1C(C2C(=C(C)C=C(C(=O)O)C=2C1O)OC)=O
Computed Properties
- Exact Mass: 238.0477
- Monoisotopic Mass: 238.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 341
- 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: 0.7
- Topological Polar Surface Area: 93.1?2
Experimental Properties
- Density: 1.528
- Boiling Point: 516.4°Cat760mmHg
- Flash Point: 208.6°C
- Refractive Index: 1.631
- PSA: 93.06
4-Isobenzofurancarboxylicacid, 1,3-dihydro-3-hydroxy-7-methoxy-6-methyl-1-oxo- (9CI) Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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