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355009-32-4 | 3-(1,3-thiazol-5-yl)prop-2-enoic acid
CAS No: 355009-32-4 Catalog No: AG01B7LS MDL No:MFCD06205709
Product Description
Catalog Number:
AG01B7LS
Chemical Name:
3-(1,3-thiazol-5-yl)prop-2-enoic acid
CAS Number:
355009-32-4
Molecular Formula:
C6H5NO2S
Molecular Weight:
155.1744
MDL Number:
MFCD06205709
IUPAC Name:
(E)-3-(1,3-thiazol-5-yl)prop-2-enoic acid
InChI:
InChI=1S/C6H5NO2S/c8-6(9)2-1-5-3-7-4-10-5/h1-4H,(H,8,9)/b2-1+
InChI Key:
LTZHGASQJGKDOQ-OWOJBTEDSA-N
SMILES:
OC(=O)C=Cc1cncs1
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
155.004g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.171g/mol
Monoisotopic Mass:
155.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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