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372107-11-4 | 3-[1-phenyl-3-(pyridin-3-yl)-1H-pyrazol-4-yl]prop-2-enoic acid
CAS No: 372107-11-4 Catalog No: AG019GRO MDL No:MFCD02705848
Product Description
Catalog Number:
AG019GRO
Chemical Name:
3-[1-phenyl-3-(pyridin-3-yl)-1H-pyrazol-4-yl]prop-2-enoic acid
CAS Number:
372107-11-4
Molecular Formula:
C17H13N3O2
Molecular Weight:
291.3040
MDL Number:
MFCD02705848
IUPAC Name:
3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoic acid
InChI:
InChI=1S/C17H13N3O2/c21-16(22)9-8-14-12-20(15-6-2-1-3-7-15)19-17(14)13-5-4-10-18-11-13/h1-12H,(H,21,22)
InChI Key:
XHJHXGWFQOOZDL-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1cn(nc1c1cccnc1)c1ccccc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.101g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.31g/mol
Monoisotopic Mass:
291.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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