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10271-85-9 | 5-ISOTHIAZOLECARBOXYLIC ACID
CAS No: 10271-85-9 Catalog No: AG00086X MDL No:MFCD07369964
Product Description
Catalog Number:
AG00086X
Chemical Name:
5-ISOTHIAZOLECARBOXYLIC ACID
CAS Number:
10271-85-9
Molecular Formula:
C4H3NO2S
Molecular Weight:
129.1371
MDL Number:
MFCD07369964
IUPAC Name:
1,2-thiazole-5-carboxylic acid
InChI:
InChI=1S/C4H3NO2S/c6-4(7)3-1-2-5-8-3/h1-2H,(H,6,7)
InChI Key:
GGYXPOOZYZHPLB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccns1
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.988g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
129.133g/mol
Monoisotopic Mass:
128.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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