Name: Name:2-[6-(methoxycarbonyl)-2-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-5-yl]acetic acid
Brand: Angene
SKU: AG019OM4
Rating: 90 (10 reviews)

2-[6-(methoxycarbonyl)-2-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-5-yl]acetic acid

CAS No.:

868238-08-8

Catalog Number:

AG019OM4

Molecular Formula:

C11H10N2O5S

Molecular Weight:

282.2725

Catalog Number:

AG019OM4

Chemical Name:

2-[6-(methoxycarbonyl)-2-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-5-yl]acetic acid

CAS Number:

868238-08-8

Molecular Formula:

C11H10N2O5S

Molecular Weight:

282.2725

MDL Number:

MFCD07343865

IUPAC Name:

2-(6-methoxycarbonyl-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl)acetic acid

InChI:

InChI=1S/C11H10N2O5S/c1-4-12-9(16)7-5(3-6(14)15)8(11(17)18-2)19-10(7)13-4/h3H2,1-2H3,(H,14,15)(H,12,13,16)

InChI Key:

HBLCXFWCGIGZMO-UHFFFAOYSA-N

SMILES:

COC(=O)c1sc2c(c1CC(=O)O)c(=O)[nH]c(n2)C

Complexity:

464

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

282.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

282.27g/mol

Monoisotopic Mass:

282.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

133A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4