Cas no 89937-81-5 (1H-Pyrrole-3,4-dicarboxylicacid, 2-methyl-)
89937-81-5 structure
Product Name:1H-Pyrrole-3,4-dicarboxylicacid, 2-methyl-
CAS No:89937-81-5
MF:C7H7NO4
MW:169.134782075882
CID:712500
PubChem ID:1512603
Update Time:2025-04-19
1H-Pyrrole-3,4-dicarboxylicacid, 2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-3,4-dicarboxylicacid, 2-methyl-
- 2-METHYL-1H-PYRROLE-3,4-DICARBOXYLIC ACID
- 1H-Pyrrole-3,4-dicarboxylicacid,2-methyl
- 2-Methyl-pyrrol-3,4-dicarbonsaeure
- 2-Methyl-pyrrol-dicarbonsaeure-3,4
- 2-methyl-pyrrole-3,4-dicarboxylic acid
- Pyrrole-3,4-dicarboxylicacid,2-methyl-(6CI,7CI)
- DTXSID30363731
- 89937-81-5
- SCHEMBL2804501
- AKOS006278673
-
- Inchi： 1S/C7H7NO4/c1-3-5(7(11)12)4(2-8-3)6(9)10/h2,8H,1H3,(H,9,10)(H,11,12)
- InChI Key： MIFMUWCQDCUPJI-UHFFFAOYSA-N
- SMILES： OC(C1C(C(=O)O)=CNC=1C)=O
Computed Properties
- Exact Mass: 169.03800
- Monoisotopic Mass: 169.038
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 216
- 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: 0.2
- Topological Polar Surface Area: 90.4?2
Experimental Properties
- PSA: 90.39000
- LogP: 0.71950
1H-Pyrrole-3,4-dicarboxylicacid, 2-methyl- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
89937-81-5 (1H-Pyrrole-3,4-dicarboxylicacid, 2-methyl-) Related Products
- 3222-56-8(2-methylpyridine-3-carboxylic acid)
- 100047-52-7(5-Methyl-1H-pyrrole-3-carboxylic acid)
- 57338-76-8(2,5-Dimethyl-1H-pyrrole-3-carboxylic acid)
- 22047-86-5(4,6-Dimethylnicotinic Acid Hydrochloride)
- 37102-48-0(2-methyl-1H-Pyrrole-3-carboxylic acid)
- 5860-71-9(2,6-Dimethylnicotinic acid)
- 17106-13-7(2,4-Dimethylpyrrole-3-carboxylic Acid)
- 55314-30-2(2,4-Dimethylpyridine-3-carboxylic acid)
- 757903-81-4(5,6-dimethylpyridine-3-carboxylic acid)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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