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1246761-51-2 | Thieno[2,3-d]pyrimidine-5-acetic acid, 1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-
CAS No: 1246761-51-2 Catalog No: AG000MLD MDL No:MFCD27964244
Product Description
Catalog Number:
AG000MLD
Chemical Name:
Thieno[2,3-d]pyrimidine-5-acetic acid, 1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-
CAS Number:
1246761-51-2
Molecular Formula:
C10H10N2O4S
Molecular Weight:
254.2624
MDL Number:
MFCD27964244
IUPAC Name:
2-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-5-yl)acetic acid
InChI:
InChI=1S/C10H10N2O4S/c1-11-8(15)7-5(3-6(13)14)4-17-9(7)12(2)10(11)16/h4H,3H2,1-2H3,(H,13,14)
InChI Key:
PYRJMOYBFKNPAS-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.26g/mol
Monoisotopic Mass:
254.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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