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1379338-27-8 | Thieno[3,2-d]pyrimidine-2-carboxylic acid, 3,4-dihydro-4-oxo-, methyl ester
CAS No: 1379338-27-8 Catalog No: AG0017NT MDL No:MFCD12964061
Product Description
Catalog Number:
AG0017NT
Chemical Name:
Thieno[3,2-d]pyrimidine-2-carboxylic acid, 3,4-dihydro-4-oxo-, methyl ester
CAS Number:
1379338-27-8
Molecular Formula:
C8H6N2O3S
Molecular Weight:
210.2098
MDL Number:
MFCD12964061
IUPAC Name:
methyl 4-oxo-3H-thieno[3,2-d]pyrimidine-2-carboxylate
InChI:
InChI=1S/C8H6N2O3S/c1-13-8(12)6-9-4-2-3-14-5(4)7(11)10-6/h2-3H,1H3,(H,9,10,11)
InChI Key:
YQVGUPBFPUAFLD-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc2ccsc2c(=O)[nH]1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.207g/mol
Monoisotopic Mass:
210.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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