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1009554-30-6 | 2-(6,7-Dimethoxy-quinazolin-4-ylamino)-propionic acid
CAS No: 1009554-30-6 Catalog No: AG01F851 MDL No:
Product Description
Catalog Number:
AG01F851
Chemical Name:
2-(6,7-Dimethoxy-quinazolin-4-ylamino)-propionic acid
CAS Number:
1009554-30-6
Molecular Formula:
C13H15N3O4
Molecular Weight:
277.2759
IUPAC Name:
2-[(6,7-dimethoxyquinazolin-4-yl)amino]propanoic acid
InChI:
InChI=1S/C13H15N3O4/c1-7(13(17)18)16-12-8-4-10(19-2)11(20-3)5-9(8)14-6-15-12/h4-7H,1-3H3,(H,17,18)(H,14,15,16)
InChI Key:
WTZZYVPNXYUPIO-UHFFFAOYSA-N
SMILES:
COc1cc2c(ncnc2cc1OC)NC(C(=O)O)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.28g/mol
Monoisotopic Mass:
277.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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