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162435-10-1 | 1H-Pyrazole-1-acetic acid, 3-(2-pyridinyl)-, ethyl ester
CAS No: 162435-10-1 Catalog No: AG001T64 MDL No:
Product Description
Catalog Number:
AG001T64
Chemical Name:
1H-Pyrazole-1-acetic acid, 3-(2-pyridinyl)-, ethyl ester
CAS Number:
162435-10-1
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
IUPAC Name:
ethyl 2-(3-pyridin-2-ylpyrazol-1-yl)acetate
InChI:
InChI=1S/C12H13N3O2/c1-2-17-12(16)9-15-8-6-11(14-15)10-5-3-4-7-13-10/h3-8H,2,9H2,1H3
InChI Key:
CWVMNCORRJIPJX-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cn1ccc(n1)c1ccccn1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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