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88280-82-4 | 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, decyl ester
CAS No: 88280-82-4 Catalog No: AG0049KH MDL No:
Product Description
Catalog Number:
AG0049KH
Chemical Name:
4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, decyl ester
CAS Number:
88280-82-4
Molecular Formula:
C15H24N2O4
Molecular Weight:
296.3621
IUPAC Name:
decyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
InChI:
InChI=1S/C15H24N2O4/c1-2-3-4-5-6-7-8-9-10-21-14(19)12-11-13(18)17-15(20)16-12/h11H,2-10H2,1H3,(H2,16,17,18,20)
InChI Key:
QUUFLQJQTDISQC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOC(=O)c1cc(=O)[nH]c(=O)[nH]1
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.174g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.367g/mol
Monoisotopic Mass:
296.174g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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