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1363382-28-8 | Thieno[3,2-c]pyridine-3,5(4H)-dicarboxylic acid, 6,7-dihydro-, 5-(1,1-dimethylethyl) ester
CAS No: 1363382-28-8 Catalog No: AG0011Q0 MDL No:MFCD23105854
Product Description
Catalog Number:
AG0011Q0
Chemical Name:
Thieno[3,2-c]pyridine-3,5(4H)-dicarboxylic acid, 6,7-dihydro-, 5-(1,1-dimethylethyl) ester
CAS Number:
1363382-28-8
Molecular Formula:
C13H16NO4S-
Molecular Weight:
282.3354
MDL Number:
MFCD23105854
IUPAC Name:
5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H17NO4S/c1-13(2,3)18-12(17)14-5-4-10-8(6-14)9(7-19-10)11(15)16/h7H,4-6H2,1-3H3,(H,15,16)
InChI Key:
ITKGRAREGLOJCD-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)c(cs2)C(=O)[O-])OC(C)(C)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.342g/mol
Monoisotopic Mass:
283.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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