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87166-64-1 | 5-Pyrimidinecarboxaldehyde, 6-amino-1,2,3,4-tetrahydro-2,4-dioxo-
CAS No: 87166-64-1 Catalog No: AG004KDU MDL No:MFCD06011085
Product Description
Catalog Number:
AG004KDU
Chemical Name:
5-Pyrimidinecarboxaldehyde, 6-amino-1,2,3,4-tetrahydro-2,4-dioxo-
CAS Number:
87166-64-1
Molecular Formula:
C5H5N3O3
Molecular Weight:
155.1115
MDL Number:
MFCD06011085
IUPAC Name:
6-amino-2,4-dioxo-1H-pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C5H5N3O3/c6-3-2(1-9)4(10)8-5(11)7-3/h1H,(H4,6,7,8,10,11)
InChI Key:
ATJXOYWILMXBMV-UHFFFAOYSA-N
SMILES:
O=Cc1c(N)[nH]c(=O)[nH]c1=O
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.033g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
155.113g/mol
Monoisotopic Mass:
155.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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