Cas no 42760-51-0 (1,2-Benzenedicarboxylic acid, 4-methyl-3-nitro-)
42760-51-0 structure
Product Name:1,2-Benzenedicarboxylic acid, 4-methyl-3-nitro-
CAS No:42760-51-0
MF:C9H7NO6
MW:225.154982805252
CID:323923
PubChem ID:14898497
Update Time:2025-04-19
1,2-Benzenedicarboxylic acid, 4-methyl-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylic acid, 4-methyl-3-nitro-
- 4-methyl-3-nitrophthalic acid
- 3-nitro-4-methylphthalic acid
- SCHEMBL2598196
- 4-Methyl-3-nitrobenzene-1,2-dicarboxylic acid
- 42760-51-0
- DTXSID20565126
-
- Inchi： 1S/C9H7NO6/c1-4-2-3-5(8(11)12)6(9(13)14)7(4)10(15)16/h2-3H,1H3,(H,11,12)(H,13,14)
- InChI Key： FHGYVAFCOQSODD-UHFFFAOYSA-N
- SMILES： OC(C1=C(C(=O)O)C=CC(C)=C1[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 225.02733694g/mol
- Monoisotopic Mass: 225.02733694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 323
- 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: 1.2
- Topological Polar Surface Area: 120?2
1,2-Benzenedicarboxylic acid, 4-methyl-3-nitro- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
42760-51-0 (1,2-Benzenedicarboxylic acid, 4-methyl-3-nitro-) Related Products
- 610-36-6(4-Amino-2-nitrobenzoic acid)
- 3113-71-1(3-Methyl-4-nitrobenzoic acid)
- 3113-72-2(5-Methyl-2-nitrobenzoic acid)
- 96-98-0(4-Methyl-3-nitrobenzoic acid)
- 13506-76-8(2-methyl-6-nitro-benzoic acid)
- 603-11-2(3-Nitrophthalic acid)
- 610-29-7(2-nitrobenzene-1,4-dicarboxylic acid)
- 13280-60-9(5-Amino-2-nitrobenzoic acid)
- 1975-50-4(2-Methyl-3-nitrobenzoic acid)
- 552-16-9(2-Nitrobenzoic acid)
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