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Home > Quinoline > 808118-62-9
808118-62-9 | Glycine, N-[[4-hydroxy-7-(4-methoxyphenoxy)-3-isoquinolinyl]carbonyl]-
CAS No: 808118-62-9 Catalog No: AG008LPJ MDL No:
Product Description
Catalog Number:
AG008LPJ
Chemical Name:
Glycine, N-[[4-hydroxy-7-(4-methoxyphenoxy)-3-isoquinolinyl]carbonyl]-
CAS Number:
808118-62-9
Molecular Formula:
C19H16N2O6
Molecular Weight:
368.3401
IUPAC Name:
2-[[4-hydroxy-7-(4-methoxyphenoxy)isoquinoline-3-carbonyl]amino]acetic acid
InChI:
InChI=1S/C19H16N2O6/c1-26-12-2-4-13(5-3-12)27-14-6-7-15-11(8-14)9-20-17(18(15)24)19(25)21-10-16(22)23/h2-9,24H,10H2,1H3,(H,21,25)(H,22,23)
InChI Key:
PIVSVWSBZQYGPI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Oc1ccc2c(c1)cnc(c2O)C(=O)NCC(=O)O
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.101g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
368.345g/mol
Monoisotopic Mass:
368.101g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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