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101234-76-8 | 1H-Cyclopenta[b]pyridine-1-acetic acid, 4,5,6,7-tetrahydro-4-thioxo-
CAS No: 101234-76-8 Catalog No: AG00040K MDL No:
Product Description
Catalog Number:
AG00040K
Chemical Name:
1H-Cyclopenta[b]pyridine-1-acetic acid, 4,5,6,7-tetrahydro-4-thioxo-
CAS Number:
101234-76-8
Molecular Formula:
C10H11NO2S
Molecular Weight:
209.2648
IUPAC Name:
2-(4-sulfanylidene-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)acetic acid
InChI:
InChI=1S/C10H11NO2S/c12-10(13)6-11-5-4-9(14)7-2-1-3-8(7)11/h4-5H,1-3,6H2,(H,12,13)
InChI Key:
HVOZESMPGJIRLF-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1ccc(=S)c2c1CCC2
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.263g/mol
Monoisotopic Mass:
209.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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