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3055-23-0 | 1(2H)-Pyrimidineacetaldehyde,3,4-dihydro-2,4-dioxo-
CAS No: 3055-23-0 Catalog No: AG0030JB MDL No:
Product Description
Catalog Number:
AG0030JB
Chemical Name:
1(2H)-Pyrimidineacetaldehyde,3,4-dihydro-2,4-dioxo-
CAS Number:
3055-23-0
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
IUPAC Name:
2-(2,4-dioxopyrimidin-1-yl)acetaldehyde
InChI:
InChI=1S/C6H6N2O3/c9-4-3-8-2-1-5(10)7-6(8)11/h1-2,4H,3H2,(H,7,10,11)
InChI Key:
IQLBKCJGVIQTLO-UHFFFAOYSA-N
SMILES:
O=CCn1ccc(=O)[nH]c1=O
NSC Number:
75726
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.125g/mol
Monoisotopic Mass:
154.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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