200,000+ products from a single source!
sales@angenechem.com
165947-48-8 | Thieno[3,2-c]pyridine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 5-(1,1-dimethylethyl) ester
CAS No: 165947-48-8 Catalog No: AG001WFD MDL No:MFCD08448165
Product Description
Catalog Number:
AG001WFD
Chemical Name:
Thieno[3,2-c]pyridine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 5-(1,1-dimethylethyl) ester
CAS Number:
165947-48-8
Molecular Formula:
C13H16NO4S-
Molecular Weight:
282.3354
MDL Number:
MFCD08448165
IUPAC Name:
5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
InChI:
InChI=1S/C13H17NO4S/c1-13(2,3)18-12(17)14-5-4-9-8(7-14)6-10(19-9)11(15)16/h6H,4-5,7H2,1-3H3,(H,15,16)
InChI Key:
VYACEHZLOWZZEV-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)cc(s2)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:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.