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6469-32-5 | 4-methylthiazole-5-propionic acid
CAS No: 6469-32-5 Catalog No: AG00EDSV MDL No:MFCD05864549
Product Description
Catalog Number:
AG00EDSV
Chemical Name:
4-methylthiazole-5-propionic acid
CAS Number:
6469-32-5
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
MDL Number:
MFCD05864549
IUPAC Name:
3-(4-methyl-1,3-thiazol-5-yl)propanoic acid
InChI:
InChI=1S/C7H9NO2S/c1-5-6(11-4-8-5)2-3-7(9)10/h4H,2-3H2,1H3,(H,9,10)
InChI Key:
HPMBMJNAPIPXFK-UHFFFAOYSA-N
SMILES:
Cc1ncsc1CCC(=O)O
EC Number:
229-284-6
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.035g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.214g/mol
Monoisotopic Mass:
171.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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