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14501-20-3 | 1,3,4-Thiadiazole-2-propanoic acid
CAS No: 14501-20-3 Catalog No: AG001KGX MDL No:
Product Description
Catalog Number:
AG001KGX
Chemical Name:
1,3,4-Thiadiazole-2-propanoic acid
CAS Number:
14501-20-3
Molecular Formula:
C5H6N2O2S
Molecular Weight:
158.1783
IUPAC Name:
3-(1,3,4-thiadiazol-2-yl)propanoic acid
InChI:
InChI=1S/C5H6N2O2S/c8-5(9)2-1-4-7-6-3-10-4/h3H,1-2H2,(H,8,9)
InChI Key:
WZOLHHGBNBCABN-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1nncs1
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.015g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.175g/mol
Monoisotopic Mass:
158.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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