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Home > Thiazole > 1342192-21-5
1342192-21-5 | 3-(4-METHYL-1,3-THIAZOL-5-YL)PROP-2-YNOIC ACID
CAS No: 1342192-21-5 Catalog No: AG01DRG2 MDL No:MFCD20347362
Product Description
Catalog Number:
AG01DRG2
Chemical Name:
3-(4-METHYL-1,3-THIAZOL-5-YL)PROP-2-YNOIC ACID
CAS Number:
1342192-21-5
Molecular Formula:
C7H5NO2S
Molecular Weight:
167.1851
MDL Number:
MFCD20347362
IUPAC Name:
3-(4-methyl-1,3-thiazol-5-yl)prop-2-ynoic acid
InChI:
InChI=1S/C7H5NO2S/c1-5-6(11-4-8-5)2-3-7(9)10/h4H,1H3,(H,9,10)
InChI Key:
DOIZJANHUWRXQG-UHFFFAOYSA-N
SMILES:
Cc1ncsc1C#CC(=O)O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.004g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.182g/mol
Monoisotopic Mass:
167.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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