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144252-20-0 | 1H-Pyrazole-3-carboxylic acid, 5-(4-pyridinyl)-, methyl ester
CAS No: 144252-20-0 Catalog No: AG001J5T MDL No:MFCD12188850
Product Description
Catalog Number:
AG001J5T
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-(4-pyridinyl)-, methyl ester
CAS Number:
144252-20-0
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
MDL Number:
MFCD12188850
IUPAC Name:
methyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C10H9N3O2/c1-15-10(14)9-6-8(12-13-9)7-2-4-11-5-3-7/h2-6H,1H3,(H,12,13)
InChI Key:
AQRBKBKWRUXTGA-UHFFFAOYSA-N
SMILES:
COC(=O)c1n[nH]c(c1)c1ccncc1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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