Home Carboxys 5-[(ethylsulfanyl)methyl]-1,2-oxazole-3-carboxylic acid

5-[(ethylsulfanyl)methyl]-1,2-oxazole-3-carboxylic acid

CAS No.:
893640-81-8
Catalog Number:
AG01ACU1
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
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Product Description
Catalog Number:
AG01ACU1
Chemical Name:
5-[(ethylsulfanyl)methyl]-1,2-oxazole-3-carboxylic acid
CAS Number:
893640-81-8
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
MDL Number:
MFCD08701335
IUPAC Name:
5-(ethylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C7H9NO3S/c1-2-12-4-5-3-6(7(9)10)8-11-5/h3H,2,4H2,1H3,(H,9,10)
InChI Key:
ROUKISNVBXHMEZ-UHFFFAOYSA-N
SMILES:
CCSCc1cc(no1)C(=O)O
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.03g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.213g/mol
Monoisotopic Mass:
187.03g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties