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89323-17-1 | Urea,N-(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinyl)-
CAS No: 89323-17-1 Catalog No: AG003YHX MDL No:
Product Description
Catalog Number:
AG003YHX
Chemical Name:
Urea,N-(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinyl)-
CAS Number:
89323-17-1
Molecular Formula:
C5H6N4O3
Molecular Weight:
170.1261
IUPAC Name:
(2,4-dioxo-1H-pyrimidin-6-yl)urea
InChI:
InChI=1S/C5H6N4O3/c6-4(11)7-2-1-3(10)9-5(12)8-2/h1H,(H5,6,7,8,9,10,11,12)
InChI Key:
BKSPDKWFNLDAKW-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1cc(=O)[nH]c(=O)[nH]1
NSC Number:
118950
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.044g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
170.128g/mol
Monoisotopic Mass:
170.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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