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Home > Thiazole > 1613051-27-6
1613051-27-6 | 3-(2-tert-butyl-1,3-thiazol-5-yl)prop-2-enoic acid
CAS No: 1613051-27-6 Catalog No: AG019SXS MDL No:MFCD20731164
Product Description
Catalog Number:
AG019SXS
Chemical Name:
3-(2-tert-butyl-1,3-thiazol-5-yl)prop-2-enoic acid
CAS Number:
1613051-27-6
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
MDL Number:
MFCD20731164
IUPAC Name:
3-(2-tert-butyl-1,3-thiazol-5-yl)prop-2-enoic acid
InChI:
InChI=1S/C10H13NO2S/c1-10(2,3)9-11-6-7(14-9)4-5-8(12)13/h4-6H,1-3H3,(H,12,13)
InChI Key:
IPKFRAJDXFKWQW-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1cnc(s1)C(C)(C)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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