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2950-86-9 | 1(2H)-Pyrimidinepropanoic acid, 3,4-dihydro-5-nitro-2,4-dioxo-
CAS No: 2950-86-9 Catalog No: AG002YKV MDL No:
Product Description
Catalog Number:
AG002YKV
Chemical Name:
1(2H)-Pyrimidinepropanoic acid, 3,4-dihydro-5-nitro-2,4-dioxo-
CAS Number:
2950-86-9
Molecular Formula:
C7H7N3O6
Molecular Weight:
229.1470
IUPAC Name:
3-(5-nitro-2,4-dioxopyrimidin-1-yl)propanoic acid
InChI:
InChI=1S/C7H7N3O6/c11-5(12)1-2-9-3-4(10(15)16)6(13)8-7(9)14/h3H,1-2H2,(H,11,12)(H,8,13,14)
InChI Key:
QMGQSEXXQZFJQA-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1cc([N+](=O)[O-])c(=O)[nH]c1=O
NSC Number:
74248
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.033g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.148g/mol
Monoisotopic Mass:
229.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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