Cas no 478-52-4 (1,3-Benzodioxole-5,6-dicarboxylicacid, 4-methoxy-)
478-52-4 structure
Product Name:1,3-Benzodioxole-5,6-dicarboxylicacid, 4-methoxy-
CAS No:478-52-4
MF:C10H8O7
MW:240.166323661804
CID:333535
PubChem ID:12304112
Update Time:2025-04-19
1,3-Benzodioxole-5,6-dicarboxylicacid, 4-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxole-5,6-dicarboxylicacid, 4-methoxy-
- 4-methoxy-1,3-benzodioxole-5,6-dicarboxylic acid
- Cotarnic acid
- Phthalicacid, 3-methoxy-4,5-(methylenedioxy)- (8CI)
- DTXSID80486707
- 478-52-4
-
- Inchi： 1S/C10H8O7/c1-15-8-6(10(13)14)4(9(11)12)2-5-7(8)17-3-16-5/h2H,3H2,1H3,(H,11,12)(H,13,14)
- InChI Key： KRFPWKWNPJEPMG-UHFFFAOYSA-N
- SMILES： O1COC2C=C(C(=O)O)C(C(=O)O)=C(C1=2)OC
Computed Properties
- Exact Mass: 240.02694
- Monoisotopic Mass: 240.02700259g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 329
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 102?2
Experimental Properties
- PSA: 102.29
1,3-Benzodioxole-5,6-dicarboxylicacid, 4-methoxy- Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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