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263549-90-2 | 2-Propenoic acid, 3-(2-phenyl-4-thiazolyl)-, (2E)-
CAS No: 263549-90-2 Catalog No: AG002SV4 MDL No:
Product Description
Catalog Number:
AG002SV4
Chemical Name:
2-Propenoic acid, 3-(2-phenyl-4-thiazolyl)-, (2E)-
CAS Number:
263549-90-2
Molecular Formula:
C12H9NO2S
Molecular Weight:
231.2704
IUPAC Name:
(E)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-enoic acid
InChI:
InChI=1S/C12H9NO2S/c14-11(15)7-6-10-8-16-12(13-10)9-4-2-1-3-5-9/h1-8H,(H,14,15)/b7-6+
InChI Key:
LBARJSCLNQZVTM-VOTSOKGWSA-N
SMILES:
OC(=O)/C=C/c1csc(n1)c1ccccc1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
231.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.269g/mol
Monoisotopic Mass:
231.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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