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1706428-52-5 | 2-(6-Oxo-1,3,4,6-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-8-yl)acetic acid
CAS No: 1706428-52-5 Catalog No: AG01FMRG MDL No:MFCD28125841
Product Description
Catalog Number:
AG01FMRG
Chemical Name:
2-(6-Oxo-1,3,4,6-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-8-yl)acetic acid
CAS Number:
1706428-52-5
Molecular Formula:
C9H11N3O3
Molecular Weight:
209.2019
MDL Number:
MFCD28125841
IUPAC Name:
2-(4-oxo-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-2-yl)acetic acid
InChI:
InChI=1S/C9H11N3O3/c13-7-4-6(5-8(14)15)11-9-10-2-1-3-12(7)9/h4H,1-3,5H2,(H,10,11)(H,14,15)
InChI Key:
KVTQRKPEBJTCOQ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(=O)n2c(n1)NCCC2
Properties
Complexity:
373
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:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.205g/mol
Monoisotopic Mass:
209.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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