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Home > Thiazole > 1100424-91-6
1100424-91-6 | 3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoic acid
CAS No: 1100424-91-6 Catalog No: AG01AHR4 MDL No:MFCD18838697
Product Description
Catalog Number:
AG01AHR4
Chemical Name:
3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoic acid
CAS Number:
1100424-91-6
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
MDL Number:
MFCD18838697
IUPAC Name:
3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoic acid
InChI:
InChI=1S/C7H7NO2S/c1-5-8-4-6(11-5)2-3-7(9)10/h2-4H,1H3,(H,9,10)
InChI Key:
NSPDLMCVVUUTDU-UHFFFAOYSA-N
SMILES:
Cc1ncc(s1)C=CC(=O)O
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.198g/mol
Monoisotopic Mass:
169.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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