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112463-59-9 | 5(4H)-Oxazolone, 4-(mercaptomethylene)-
CAS No: 112463-59-9 Catalog No: AG007T9B MDL No:
Product Description
Catalog Number:
AG007T9B
Chemical Name:
5(4H)-Oxazolone, 4-(mercaptomethylene)-
CAS Number:
112463-59-9
Molecular Formula:
C4H3NO2S
Molecular Weight:
129.1371
IUPAC Name:
5-hydroxy-1,3-oxazole-4-carbothialdehyde
InChI:
InChI=1S/C4H3NO2S/c6-4-3(1-8)5-2-7-4/h1-2,6H
InChI Key:
VHTYEQRPYGFFHW-UHFFFAOYSA-N
SMILES:
SC=C1N=COC1=O
Properties
Complexity:
98
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:
0.7
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