Cas no 431071-65-7 (5-methyl-2-Pyrazineacetic acid ethyl ester)
431071-65-7 structure
Product Name:5-methyl-2-Pyrazineacetic acid ethyl ester
CAS No:431071-65-7
MF:C9H12N2O2
MW:180.203782081604
CID:2118811
PubChem ID:72212708
Update Time:2025-04-21
5-methyl-2-Pyrazineacetic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-methyl-2-Pyrazineacetic acid ethyl ester
- ethyl 2-(5-methylpyrazin-2-yl)acetate
- AB70233
- 431071-65-7
- DB-070398
-
- Inchi： 1S/C9H12N2O2/c1-3-13-9(12)4-8-6-10-7(2)5-11-8/h5-6H,3-4H2,1-2H3
- InChI Key： FYBKCOZBFIDANS-UHFFFAOYSA-N
- SMILES： O(CC)C(CC1C=NC(C)=CN=1)=O
Computed Properties
- Exact Mass: 180.089877630Da
- Monoisotopic Mass: 180.089877630Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 173
- 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: 0.4
- Topological Polar Surface Area: 52.1?2
5-methyl-2-Pyrazineacetic acid ethyl ester Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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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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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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