Home Carboxys Thieno[3,2-c]pyridine-5(4H)-carboxylic acid, 2-formyl-6,7-dihydro-, 1,1-dimethylethyl ester

Thieno[3,2-c]pyridine-5(4H)-carboxylic acid, 2-formyl-6,7-dihydro-, 1,1-dimethylethyl ester

CAS No.:
165947-55-7
Catalog Number:
AG001WFA
Molecular Formula:
C13H17NO3S
Molecular Weight:
267.3440
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Product Description
Catalog Number:
AG001WFA
Chemical Name:
Thieno[3,2-c]pyridine-5(4H)-carboxylic acid, 2-formyl-6,7-dihydro-, 1,1-dimethylethyl ester
CAS Number:
165947-55-7
Molecular Formula:
C13H17NO3S
Molecular Weight:
267.3440
MDL Number:
MFCD10698560
IUPAC Name:
tert-butyl 2-formyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
InChI:
InChI=1S/C13H17NO3S/c1-13(2,3)17-12(16)14-5-4-11-9(7-14)6-10(8-15)18-11/h6,8H,4-5,7H2,1-3H3
InChI Key:
LEONLAFPFCQRNM-UHFFFAOYSA-N
SMILES:
O=Cc1sc2c(c1)CN(CC2)C(=O)OC(C)(C)C
Properties
Complexity:
340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.093g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.343g/mol
Monoisotopic Mass:
267.093g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties