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21004-28-4 | Furo[2,3-d]pyrimidine-2,4(1H,3H)-dione, 5,6-dihydro-3,6-dimethyl-
CAS No: 21004-28-4 Catalog No: AG002KK3 MDL No:
Product Description
Catalog Number:
AG002KK3
Chemical Name:
Furo[2,3-d]pyrimidine-2,4(1H,3H)-dione, 5,6-dihydro-3,6-dimethyl-
CAS Number:
21004-28-4
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
IUPAC Name:
3,6-dimethyl-5,6-dihydro-1H-furo[2,3-d]pyrimidine-2,4-dione
InChI:
InChI=1S/C8H10N2O3/c1-4-3-5-6(13-4)9-8(12)10(2)7(5)11/h4H,3H2,1-2H3,(H,9,12)
InChI Key:
QFGGQTWWXKIIEA-UHFFFAOYSA-N
SMILES:
CC1Oc2c(C1)c(=O)n(c(=O)[nH]2)C
NSC Number:
120299
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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