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306937-37-1 | 4-Thiazoleacetic acid, 2,5-dimethyl-, methyl ester
CAS No: 306937-37-1 Catalog No: AG0030YZ MDL No:MFCD02677686
Product Description
Catalog Number:
AG0030YZ
Chemical Name:
4-Thiazoleacetic acid, 2,5-dimethyl-, methyl ester
CAS Number:
306937-37-1
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
MDL Number:
MFCD02677686
IUPAC Name:
methyl 2-(2,5-dimethyl-1,3-thiazol-4-yl)acetate
InChI:
InChI=1S/C8H11NO2S/c1-5-7(4-8(10)11-3)9-6(2)12-5/h4H2,1-3H3
InChI Key:
AUEJOXGQRQYLDJ-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1nc(sc1C)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.241g/mol
Monoisotopic Mass:
185.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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