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263145-44-4 | Butanoic acid, 4-oxo-4-(1,10-phenanthrolin-5-ylamino)-
CAS No: 263145-44-4 Catalog No: AG002SOK MDL No:
Product Description
Catalog Number:
AG002SOK
Chemical Name:
Butanoic acid, 4-oxo-4-(1,10-phenanthrolin-5-ylamino)-
CAS Number:
263145-44-4
Molecular Formula:
C16H13N3O3
Molecular Weight:
295.2927
IUPAC Name:
4-oxo-4-(1,10-phenanthrolin-5-ylamino)butanoic acid
InChI:
InChI=1S/C16H13N3O3/c20-13(5-6-14(21)22)19-12-9-10-3-1-7-17-15(10)16-11(12)4-2-8-18-16/h1-4,7-9H,5-6H2,(H,19,20)(H,21,22)
InChI Key:
JKYOABJIFFGMNH-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc2cccnc2c2c1cccn2)CCC(=O)O
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.096g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.298g/mol
Monoisotopic Mass:
295.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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