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91526-22-6 | Thiazole, 2-[2-methoxy-3-(2-propenyl)phenyl]-
CAS No: 91526-22-6 Catalog No: AG0069MO MDL No:
Product Description
Catalog Number:
AG0069MO
Chemical Name:
Thiazole, 2-[2-methoxy-3-(2-propenyl)phenyl]-
CAS Number:
91526-22-6
Molecular Formula:
C13H13NOS
Molecular Weight:
231.3134
IUPAC Name:
2-(2-methoxy-3-prop-2-enylphenyl)-1,3-thiazole
InChI:
InChI=1S/C13H13NOS/c1-3-5-10-6-4-7-11(12(10)15-2)13-14-8-9-16-13/h3-4,6-9H,1,5H2,2H3
InChI Key:
OKQSMHIPUQXSNF-UHFFFAOYSA-N
SMILES:
C=CCc1cccc(c1OC)c1nccs1
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.313g/mol
Monoisotopic Mass:
231.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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