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(E)-3-(Methylthio)acrylic acid

CAS No.:
26398-93-6
Catalog Number:
AG00BPHN
Molecular Formula:
C4H6O2S
Molecular Weight:
118.1542
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Product Description
Catalog Number:
AG00BPHN
Chemical Name:
(E)-3-(Methylthio)acrylic acid
CAS Number:
26398-93-6
Molecular Formula:
C4H6O2S
Molecular Weight:
118.1542
IUPAC Name:
(E)-3-methylsulfanylprop-2-enoic acid
InChI:
InChI=1S/C4H6O2S/c1-7-3-2-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
InChI Key:
RCZLOQQOUWHMIS-NSCUHMNNSA-N
SMILES:
CSC=CC(=O)O
FEMA Number:
4564
Properties
Complexity:
87.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
118.009g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
118.15g/mol
Monoisotopic Mass:
118.009g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties