Cas no 7164-18-3 (3-acetyl-1H-Pyrrole-2-carboxylic acid)
7164-18-3 structure
Product Name:3-acetyl-1H-Pyrrole-2-carboxylic acid
CAS No:7164-18-3
MF:C7H7NO3
MW:153.135381937027
CID:1116501
PubChem ID:33698503
Update Time:2025-04-20
3-acetyl-1H-Pyrrole-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-acetyl-1H-Pyrrole-2-carboxylic acid
- 7164-18-3
- AKOS006328598
-
- Inchi： 1S/C7H7NO3/c1-4(9)5-2-3-8-6(5)7(10)11/h2-3,8H,1H3,(H,10,11)
- InChI Key： WCSSDJWBBJZBDG-UHFFFAOYSA-N
- SMILES： O=C(C)C1C=CNC=1C(=O)O
Computed Properties
- Exact Mass: 153.042593085g/mol
- Monoisotopic Mass: 153.042593085g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 190
- 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: 0.3
- Topological Polar Surface Area: 70.2?2
3-acetyl-1H-Pyrrole-2-carboxylic acid Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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