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10199-59-4 | 1H-Pyrazole-1-carboxylic acid, ethyl ester
CAS No: 10199-59-4 Catalog No: AG00066Z MDL No:
Product Description
Catalog Number:
AG00066Z
Chemical Name:
1H-Pyrazole-1-carboxylic acid, ethyl ester
CAS Number:
10199-59-4
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
IUPAC Name:
ethyl pyrazole-1-carboxylate
InChI:
InChI=1S/C6H8N2O2/c1-2-10-6(9)8-5-3-4-7-8/h3-5H,2H2,1H3
InChI Key:
JOGZTNKUYDJSDD-UHFFFAOYSA-N
SMILES:
CCOC(=O)n1cccn1
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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