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377083-67-5 | 2-THIAZOLEPROPANAL
CAS No: 377083-67-5 Catalog No: AG0078D5 MDL No:
Product Description
Catalog Number:
AG0078D5
Chemical Name:
2-THIAZOLEPROPANAL
CAS Number:
377083-67-5
Molecular Formula:
C6H7NOS
Molecular Weight:
141.1909
IUPAC Name:
3-(1,3-thiazol-2-yl)propanal
InChI:
InChI=1S/C6H7NOS/c8-4-1-2-6-7-3-5-9-6/h3-5H,1-2H2
InChI Key:
LPYLLKLVYUDKAV-UHFFFAOYSA-N
SMILES:
O=CCCc1nccs1
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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