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915924-30-0

915924-30-0 | (2E)-3-[2-(METHYLTHIO)PYRIMIDIN-5-YL]ACRYLIC ACID

CAS No: 915924-30-0 Catalog No: AG006FWF MDL No:MFCD08691534

Product Description

Catalog Number:
AG006FWF
Chemical Name:
(2E)-3-[2-(METHYLTHIO)PYRIMIDIN-5-YL]ACRYLIC ACID
CAS Number:
915924-30-0
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
MDL Number:
MFCD08691534
IUPAC Name:
3-(2-methylsulfanylpyrimidin-5-yl)prop-2-enoic acid
InChI:
InChI=1S/C8H8N2O2S/c1-13-8-9-4-6(5-10-8)2-3-7(11)12/h2-5H,1H3,(H,11,12)
InChI Key:
WPRBLLNMSHVARX-UHFFFAOYSA-N
SMILES:
CSc1ncc(cn1)/C=C/C(=O)O

Properties

Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.031g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.224g/mol
Monoisotopic Mass:
196.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1  

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