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1009333-94-1 | Furo[2,3-d]pyrimidine-6-carboxylic acid, 5-hydroxy-, ethyl ester
CAS No: 1009333-94-1 Catalog No: AG00038Y MDL No:
Product Description
Catalog Number:
AG00038Y
Chemical Name:
Furo[2,3-d]pyrimidine-6-carboxylic acid, 5-hydroxy-, ethyl ester
CAS Number:
1009333-94-1
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
IUPAC Name:
ethyl 5-hydroxyfuro[2,3-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C9H8N2O4/c1-2-14-9(13)7-6(12)5-3-10-4-11-8(5)15-7/h3-4,12H,2H2,1H3
InChI Key:
MJXBCAKBWTXYNI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1oc2c(c1O)cncn2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.173g/mol
Monoisotopic Mass:
208.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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