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1256813-70-3 | Thieno[2,3-c]pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-, methyl ester
CAS No: 1256813-70-3 Catalog No: AG000OFN MDL No:MFCD22381067
Product Description
Catalog Number:
AG000OFN
Chemical Name:
Thieno[2,3-c]pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-, methyl ester
CAS Number:
1256813-70-3
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
MDL Number:
MFCD22381067
IUPAC Name:
methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
InChI:
InChI=1S/C9H11NO2S/c1-12-9(11)7-5-13-8-4-10-3-2-6(7)8/h5,10H,2-4H2,1H3
InChI Key:
KXGHYODCZRQBOO-UHFFFAOYSA-N
SMILES:
COC(=O)c1csc2c1CCNC2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.252g/mol
Monoisotopic Mass:
197.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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