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116118-98-0

116118-98-0 | Thieno[3,2-c]pyridine-2-carboxylic acid, 4,5,6,7-tetrahydro-

CAS No: 116118-98-0 Catalog No: AG000BNV MDL No:MFCD08696382

Product Description

Catalog Number:
AG000BNV
Chemical Name:
Thieno[3,2-c]pyridine-2-carboxylic acid, 4,5,6,7-tetrahydro-
CAS Number:
116118-98-0
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
MDL Number:
MFCD08696382
IUPAC Name:
4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid
InChI:
InChI=1S/C8H9NO2S/c10-8(11)7-3-5-4-9-2-1-6(5)12-7/h3,9H,1-2,4H2,(H,10,11)
InChI Key:
OEYJTWUFGQRSOD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(s1)CCNC2

Properties

Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.035g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  

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