Cas no 98279-54-0 (Pyrrole-2-carboxylic acid, 4-formyl-5-methyl- (6CI))
98279-54-0 structure
Product Name:Pyrrole-2-carboxylic acid, 4-formyl-5-methyl- (6CI)
CAS No:98279-54-0
MF:C7H7NO3
MW:153.135381937027
CID:1002459
PubChem ID:53443498
Update Time:2025-04-20
Pyrrole-2-carboxylic acid, 4-formyl-5-methyl- (6CI) Chemical and Physical Properties
Names and Identifiers
-
- Pyrrole-2-carboxylic acid, 4-formyl-5-methyl- (6CI)
- SCHEMBL20159038
- 98279-54-0
- 4-Formyl-5-methyl-1H-pyrrole-2-carboxylic acid
-
- Inchi： 1S/C7H7NO3/c1-4-5(3-9)2-6(8-4)7(10)11/h2-3,8H,1H3,(H,10,11)
- InChI Key： RPCXVOMVGMIQHR-UHFFFAOYSA-N
- SMILES： OC(C1=CC(C=O)=C(C)N1)=O
Computed Properties
- Exact Mass: 153.043
- Monoisotopic Mass: 153.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 181
- 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
- Topological Polar Surface Area: 70.2A^2
- XLogP3: 0.4
Pyrrole-2-carboxylic acid, 4-formyl-5-methyl- (6CI) Related Literature
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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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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
98279-54-0 (Pyrrole-2-carboxylic acid, 4-formyl-5-methyl- (6CI)) Related Products
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