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189359-05-5 | Glycine, N-[(6-butoxy-3-hydroxy-2-quinolinyl)carbonyl]-
CAS No: 189359-05-5 Catalog No: AG00771U MDL No:
Product Description
Catalog Number:
AG00771U
Chemical Name:
Glycine, N-[(6-butoxy-3-hydroxy-2-quinolinyl)carbonyl]-
CAS Number:
189359-05-5
Molecular Formula:
C16H18N2O5
Molecular Weight:
318.3245
IUPAC Name:
2-[(6-butoxy-3-hydroxyquinoline-2-carbonyl)amino]acetic acid
InChI:
InChI=1S/C16H18N2O5/c1-2-3-6-23-11-4-5-12-10(7-11)8-13(19)15(18-12)16(22)17-9-14(20)21/h4-5,7-8,19H,2-3,6,9H2,1H3,(H,17,22)(H,20,21)
InChI Key:
SJJSBEAYNXNSLH-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc2c(c1)cc(c(n2)C(=O)NCC(=O)O)O
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.122g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
318.329g/mol
Monoisotopic Mass:
318.122g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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