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14161-00-3 | 4-Pyrimidinecarboxaldehyde,1,2,3,6-tetrahydro-5-methyl-2,6-dioxo-
CAS No: 14161-00-3 Catalog No: AG006XJC MDL No:
Product Description
Catalog Number:
AG006XJC
Chemical Name:
4-Pyrimidinecarboxaldehyde,1,2,3,6-tetrahydro-5-methyl-2,6-dioxo-
CAS Number:
14161-00-3
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
IUPAC Name:
5-methyl-2,4-dioxo-1H-pyrimidine-6-carbaldehyde
InChI:
InChI=1S/C6H6N2O3/c1-3-4(2-9)7-6(11)8-5(3)10/h2H,1H3,(H2,7,8,10,11)
InChI Key:
SZQDOUUFFRAZPR-UHFFFAOYSA-N
SMILES:
O=Cc1[nH]c(=O)[nH]c(=O)c1C
NSC Number:
106585
Properties
Complexity:
267
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:
2
Isotope Atom Count:
0
Molecular Weight:
154.125g/mol
Monoisotopic Mass:
154.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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