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383136-31-0 | 1-(Thiazol-2-yl);-1H-pyrrole-2-carbaldehyde
CAS No: 383136-31-0 Catalog No: AG007AA5 MDL No:MFCD02665165
Product Description
Catalog Number:
AG007AA5
Chemical Name:
1-(Thiazol-2-yl);-1H-pyrrole-2-carbaldehyde
CAS Number:
383136-31-0
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
MDL Number:
MFCD02665165
IUPAC Name:
1-(1,3-thiazol-2-yl)pyrrole-2-carbaldehyde
InChI:
InChI=1S/C8H6N2OS/c11-6-7-2-1-4-10(7)8-9-3-5-12-8/h1-6H
InChI Key:
MJMPLOXIKWGERX-UHFFFAOYSA-N
SMILES:
O=Cc1cccn1c1nccs1
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.209g/mol
Monoisotopic Mass:
178.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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