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30709-69-4 | 5-Thiazolecarboxylic acid, 2-propyl-
CAS No: 30709-69-4 Catalog No: AG00311V MDL No:MFCD00865742
Product Description
Catalog Number:
AG00311V
Chemical Name:
5-Thiazolecarboxylic acid, 2-propyl-
CAS Number:
30709-69-4
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
MDL Number:
MFCD00865742
IUPAC Name:
2-propyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C7H9NO2S/c1-2-3-6-8-4-5(11-6)7(9)10/h4H,2-3H2,1H3,(H,9,10)
InChI Key:
IOSZDNOGOPHEPH-UHFFFAOYSA-N
SMILES:
CCCc1ncc(s1)C(=O)O
UNII:
VGT0G37N5M
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:
2
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