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878001-07-1 | 4-Thiazolepropanal
CAS No: 878001-07-1 Catalog No: AG004K5C MDL No:
Product Description
Catalog Number:
AG004K5C
Chemical Name:
4-Thiazolepropanal
CAS Number:
878001-07-1
Molecular Formula:
C6H7NOS
Molecular Weight:
141.1909
IUPAC Name:
3-(1,3-thiazol-4-yl)propanal
InChI:
InChI=1S/C6H7NOS/c8-3-1-2-6-4-9-5-7-6/h3-5H,1-2H2
InChI Key:
CGQLWWXAVSIXPY-UHFFFAOYSA-N
SMILES:
C(c1cscn1)CC=O
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.025g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.188g/mol
Monoisotopic Mass:
141.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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