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Home > Pyridines > 1006492-96-1
1006492-96-1 | 3-[1-benzyl-3-(pyridin-3-yl)-1H-pyrazol-4-yl]prop-2-enoic acid
CAS No: 1006492-96-1 Catalog No: AG019JIS MDL No:MFCD06357388
Product Description
Catalog Number:
AG019JIS
Chemical Name:
3-[1-benzyl-3-(pyridin-3-yl)-1H-pyrazol-4-yl]prop-2-enoic acid
CAS Number:
1006492-96-1
Molecular Formula:
C18H15N3O2
Molecular Weight:
305.3306
MDL Number:
MFCD06357388
IUPAC Name:
3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoic acid
InChI:
InChI=1S/C18H15N3O2/c22-17(23)9-8-16-13-21(12-14-5-2-1-3-6-14)20-18(16)15-7-4-10-19-11-15/h1-11,13H,12H2,(H,22,23)
InChI Key:
OXIKLRTYAYRAOE-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1cn(nc1c1cccnc1)Cc1ccccc1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.337g/mol
Monoisotopic Mass:
305.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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