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1099963-42-4 | "ethyl 3,6-dimethyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxylate"
CAS No: 1099963-42-4 Catalog No: AG01FMQG MDL No:MFCD10990376
Product Description
Catalog Number:
AG01FMQG
Chemical Name:
"ethyl 3,6-dimethyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxylate"
CAS Number:
1099963-42-4
Molecular Formula:
C11H12N2O4
Molecular Weight:
236.2240
MDL Number:
MFCD10990376
IUPAC Name:
ethyl 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
InChI:
InChI=1S/C11H12N2O4/c1-4-16-11(15)7-6(2)17-9-8(7)10(14)13(3)5-12-9/h5H,4H2,1-3H3
InChI Key:
AFRXUKXZPUAANC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)oc2c1c(=O)n(cn2)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.227g/mol
Monoisotopic Mass:
236.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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