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1557920-92-9 | 4-morpholinopyrimidine-2-carboxylic acid
CAS No: 1557920-92-9 Catalog No: AG01FMIO MDL No:MFCD28012746
Product Description
Catalog Number:
AG01FMIO
Chemical Name:
4-morpholinopyrimidine-2-carboxylic acid
CAS Number:
1557920-92-9
Molecular Formula:
C9H11N3O3
Molecular Weight:
209.2019
MDL Number:
MFCD28012746
IUPAC Name:
4-morpholin-4-ylpyrimidine-2-carboxylic acid
InChI:
InChI=1S/C9H11N3O3/c13-9(14)8-10-2-1-7(11-8)12-3-5-15-6-4-12/h1-2H,3-6H2,(H,13,14)
InChI Key:
KONMWBWQZPSPAK-UHFFFAOYSA-N
SMILES:
OC(=O)c1nccc(n1)N1CCOCC1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.205g/mol
Monoisotopic Mass:
209.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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