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864754-02-9

864754-02-9 | Propanoic acid,2-(2-pyridinylthio)-, (2S)-

CAS No: 864754-02-9 Catalog No: AG004MQA MDL No:MFCD08705996

Product Description

Catalog Number:
AG004MQA
Chemical Name:
Propanoic acid,2-(2-pyridinylthio)-, (2S)-
CAS Number:
864754-02-9
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
MDL Number:
MFCD08705996
IUPAC Name:
(2S)-2-pyridin-2-ylsulfanylpropanoic acid
InChI:
InChI=1S/C8H9NO2S/c1-6(8(10)11)12-7-4-2-3-5-9-7/h2-6H,1H3,(H,10,11)/t6-/m0/s1
InChI Key:
FAAIBCMHMKYUAH-LURJTMIESA-N
SMILES:
OC(=O)[C@@H](Sc1ccccn1)C

Properties

Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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