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1590410-45-9 | 3-(1,3-thiazol-4-yl)prop-2-enoic acid
CAS No: 1590410-45-9 Catalog No: AG01A841 MDL No:MFCD11180956
Product Description
Catalog Number:
AG01A841
Chemical Name:
3-(1,3-thiazol-4-yl)prop-2-enoic acid
CAS Number:
1590410-45-9
Molecular Formula:
C6H5NO2S
Molecular Weight:
155.1744
MDL Number:
MFCD11180956
IUPAC Name:
(E)-3-(1,3-thiazol-4-yl)prop-2-enoic acid
InChI:
InChI=1S/C6H5NO2S/c8-6(9)2-1-5-3-10-4-7-5/h1-4H,(H,8,9)/b2-1+
InChI Key:
IXZOCDJVRALXCG-OWOJBTEDSA-N
SMILES:
OC(=O)C=Cc1cscn1
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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