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117784-22-2 | 1H-Pyrazole-3-carboxylic acid, 4-(4-pyridinyl)-, methyl ester
CAS No: 117784-22-2 Catalog No: AG000HT0 MDL No:MFCD23135777
Product Description
Catalog Number:
AG000HT0
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 4-(4-pyridinyl)-, methyl ester
CAS Number:
117784-22-2
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
MDL Number:
MFCD23135777
IUPAC Name:
methyl 4-pyridin-4-yl-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C10H9N3O2/c1-15-10(14)9-8(6-12-13-9)7-2-4-11-5-3-7/h2-6H,1H3,(H,12,13)
InChI Key:
SOXZUDICJVTYRI-UHFFFAOYSA-N
SMILES:
COC(=O)c1n[nH]cc1c1ccncc1
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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