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2950-92-7 | 1(2H)-Pyrimidinepropanoic acid, 5-amino-3,4-dihydro-2,4-dioxo-, ethyl ester
CAS No: 2950-92-7 Catalog No: AG002YM5 MDL No:
Product Description
Catalog Number:
AG002YM5
Chemical Name:
1(2H)-Pyrimidinepropanoic acid, 5-amino-3,4-dihydro-2,4-dioxo-, ethyl ester
CAS Number:
2950-92-7
Molecular Formula:
C9H13N3O4
Molecular Weight:
227.2172
IUPAC Name:
ethyl 3-(5-amino-2,4-dioxopyrimidin-1-yl)propanoate
InChI:
InChI=1S/C9H13N3O4/c1-2-16-7(13)3-4-12-5-6(10)8(14)11-9(12)15/h5H,2-4,10H2,1H3,(H,11,14,15)
InChI Key:
IROMKLMANXVSCP-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCn1cc(N)c(=O)[nH]c1=O
NSC Number:
73277
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.22g/mol
Monoisotopic Mass:
227.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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