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111601-00-4 | 2-Propenoic acid, 3-(4-thiazolyl)-, ethyl ester, (E)-
CAS No: 111601-00-4 Catalog No: AG00HC64 MDL No:MFCD28677737
Product Description
Catalog Number:
AG00HC64
Chemical Name:
2-Propenoic acid, 3-(4-thiazolyl)-, ethyl ester, (E)-
CAS Number:
111601-00-4
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
MDL Number:
MFCD28677737
IUPAC Name:
ethyl (E)-3-(1,3-thiazol-4-yl)prop-2-enoate
InChI:
InChI=1S/C8H9NO2S/c1-2-11-8(10)4-3-7-5-12-6-9-7/h3-6H,2H2,1H3/b4-3+
InChI Key:
IKQZBGNZLXTBGQ-ONEGZZNKSA-N
SMILES:
CCOC(=O)/C=C/c1cscn1
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
183.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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