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204919-73-3 | Butanoic acid, 4-[(4-cyano-1-naphthalenyl)amino]-4-oxo-
CAS No: 204919-73-3 Catalog No: AG0029RE MDL No:
Product Description
Catalog Number:
AG0029RE
Chemical Name:
Butanoic acid, 4-[(4-cyano-1-naphthalenyl)amino]-4-oxo-
CAS Number:
204919-73-3
Molecular Formula:
C15H12N2O3
Molecular Weight:
268.2674
IUPAC Name:
4-[(4-cyanonaphthalen-1-yl)amino]-4-oxobutanoic acid
InChI:
InChI=1S/C15H12N2O3/c16-9-10-5-6-13(12-4-2-1-3-11(10)12)17-14(18)7-8-15(19)20/h1-6H,7-8H2,(H,17,18)(H,19,20)
InChI Key:
FXYBMGIQJKKKQD-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1cccc2)NC(=O)CCC(=O)O
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.272g/mol
Monoisotopic Mass:
268.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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