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Home > Thiazole > 1418007-47-2
1418007-47-2 | (2E)-3-(1,3-thiazol-5-yl)prop-2-enoic acid, E
CAS No: 1418007-47-2 Catalog No: AG01DSWS MDL No:MFCD06205709
Product Description
Catalog Number:
AG01DSWS
Chemical Name:
(2E)-3-(1,3-thiazol-5-yl)prop-2-enoic acid, E
CAS Number:
1418007-47-2
Molecular Formula:
C6H5NO2S
Molecular Weight:
155.1744
MDL Number:
MFCD06205709
IUPAC Name:
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)
InChI Key:
LTZHGASQJGKDOQ-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/c1cncs1
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1
XLogP3:
0.9
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