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Home > Pyridines > 1170867-73-8
1170867-73-8 | 4-(3-oxo-4-propyl-3,4-dihydropyrido[2,3-b]pyrazin-2-yl)benzoic acid
CAS No: 1170867-73-8 Catalog No: AG00J581 MDL No:MFCD14281821
Product Description
Catalog Number:
AG00J581
Chemical Name:
4-(3-oxo-4-propyl-3,4-dihydropyrido[2,3-b]pyrazin-2-yl)benzoic acid
CAS Number:
1170867-73-8
Molecular Formula:
C17H15N3O3
Molecular Weight:
309.3193
MDL Number:
MFCD14281821
IUPAC Name:
4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)benzoic acid
InChI:
InChI=1S/C17H15N3O3/c1-2-10-20-15-13(4-3-9-18-15)19-14(16(20)21)11-5-7-12(8-6-11)17(22)23/h3-9H,2,10H2,1H3,(H,22,23)
InChI Key:
CLRUDBYGHPIHSY-UHFFFAOYSA-N
SMILES:
CCCn1c(=O)c(nc2c1nccc2)c1ccc(cc1)C(=O)O
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.111g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.325g/mol
Monoisotopic Mass:
309.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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