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37112-93-9 | 2-Thiazolecarboxaldehyde, 4,5-dihydro-
CAS No: 37112-93-9 Catalog No: AG007B01 MDL No:
Product Description
Catalog Number:
AG007B01
Chemical Name:
2-Thiazolecarboxaldehyde, 4,5-dihydro-
CAS Number:
37112-93-9
Molecular Formula:
C4H5NOS
Molecular Weight:
115.1536
IUPAC Name:
4,5-dihydro-1,3-thiazole-2-carbaldehyde
InChI:
InChI=1S/C4H5NOS/c6-3-4-5-1-2-7-4/h3H,1-2H2
InChI Key:
UYXNILLHLVMIQE-UHFFFAOYSA-N
SMILES:
O=CC1=NCCS1
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.009g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
115.15g/mol
Monoisotopic Mass:
115.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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