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2060025-05-8 | 2-(1H-imidazol-1-yl)thiophene-3-carbaldehyde
CAS No: 2060025-05-8 Catalog No: AG01C0M5 MDL No:MFCD30498068
Product Description
Catalog Number:
AG01C0M5
Chemical Name:
2-(1H-imidazol-1-yl)thiophene-3-carbaldehyde
CAS Number:
2060025-05-8
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
MDL Number:
MFCD30498068
IUPAC Name:
2-imidazol-1-ylthiophene-3-carbaldehyde
InChI:
InChI=1S/C8H6N2OS/c11-5-7-1-4-12-8(7)10-3-2-9-6-10/h1-6H
InChI Key:
IELMWRXBEMVPIT-UHFFFAOYSA-N
SMILES:
O=Cc1ccsc1n1cncc1
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:
1.1
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