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23458-75-5 | Furo[2,3-d]pyrimidine-2,4(1H,3H)-dione, 6-ethyl-5,6-dihydro-3-phenyl-
CAS No: 23458-75-5 Catalog No: AG002NB5 MDL No:
Product Description
Catalog Number:
AG002NB5
Chemical Name:
Furo[2,3-d]pyrimidine-2,4(1H,3H)-dione, 6-ethyl-5,6-dihydro-3-phenyl-
CAS Number:
23458-75-5
Molecular Formula:
C14H14N2O3
Molecular Weight:
258.2726
IUPAC Name:
6-ethyl-3-phenyl-5,6-dihydro-1H-furo[2,3-d]pyrimidine-2,4-dione
InChI:
InChI=1S/C14H14N2O3/c1-2-10-8-11-12(19-10)15-14(18)16(13(11)17)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,15,18)
InChI Key:
KSGWNVXNGHLLRC-UHFFFAOYSA-N
SMILES:
CCC1Oc2c(C1)c(=O)n(c(=O)[nH]2)c1ccccc1
NSC Number:
112557
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.277g/mol
Monoisotopic Mass:
258.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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