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201142-75-8

201142-75-8 | 2-Propenoic acid, 3-(2-methyl-4-thiazolyl)-, (2E)-

CAS No: 201142-75-8 Catalog No: AG002D8J MDL No:MFCD08691273

Product Description

Catalog Number:
AG002D8J
Chemical Name:
2-Propenoic acid, 3-(2-methyl-4-thiazolyl)-, (2E)-
CAS Number:
201142-75-8
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
MDL Number:
MFCD08691273
IUPAC Name:
(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoic acid
InChI:
InChI=1S/C7H7NO2S/c1-5-8-6(4-11-5)2-3-7(9)10/h2-4H,1H3,(H,9,10)/b3-2+
InChI Key:
XLGMDBLELDJXLS-NSCUHMNNSA-N
SMILES:
Cc1nc(cs1)/C=C/C(=O)O

Properties

Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
169.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.198g/mol
Monoisotopic Mass:
169.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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