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88398-78-1

88398-78-1 | Ethyl 5-hydroxy-1-methyl-1H-pyrazole-4-carboxylate

CAS No: 88398-78-1 Catalog No: AG004FCU MDL No:MFCD16620116

Product Description

Catalog Number:
AG004FCU
Chemical Name:
Ethyl 5-hydroxy-1-methyl-1H-pyrazole-4-carboxylate
CAS Number:
88398-78-1
Molecular Formula:
C7H10N2O3
Molecular Weight:
170.1659
MDL Number:
MFCD16620116
IUPAC Name:
ethyl 2-methyl-3-oxo-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C7H10N2O3/c1-3-12-7(11)5-4-8-9(2)6(5)10/h4,8H,3H2,1-2H3
InChI Key:
YKENTGBQCDMCNF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1O)C

Properties

Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.069g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.168g/mol
Monoisotopic Mass:
170.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

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