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874623-16-2 | 3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]prop-2-enoic acid
CAS No: 874623-16-2 Catalog No: AG019PFR MDL No:MFCD07691364
Product Description
Catalog Number:
AG019PFR
Chemical Name:
3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]prop-2-enoic acid
CAS Number:
874623-16-2
Molecular Formula:
C13H11NO3S
Molecular Weight:
261.2963
MDL Number:
MFCD07691364
IUPAC Name:
3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]prop-2-enoic acid
InChI:
InChI=1S/C13H11NO3S/c1-17-11-5-2-9(3-6-11)13-14-10(8-18-13)4-7-12(15)16/h2-8H,1H3,(H,15,16)
InChI Key:
QZWYEYGQIRJQEJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1scc(n1)C=CC(=O)O
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.295g/mol
Monoisotopic Mass:
261.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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