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640769-69-3 | 5-(pyrimidin-5-yl)thiophene-2-carbaldehyde
CAS No: 640769-69-3 Catalog No: AG01BTDM MDL No:MFCD06802779
Product Description
Catalog Number:
AG01BTDM
Chemical Name:
5-(pyrimidin-5-yl)thiophene-2-carbaldehyde
CAS Number:
640769-69-3
Molecular Formula:
C9H6N2OS
Molecular Weight:
190.2217
MDL Number:
MFCD06802779
IUPAC Name:
5-pyrimidin-5-ylthiophene-2-carbaldehyde
InChI:
InChI=1S/C9H6N2OS/c12-5-8-1-2-9(13-8)7-3-10-6-11-4-7/h1-6H
InChI Key:
XFJPCSJAWVGWKY-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)c1cncnc1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.22g/mol
Monoisotopic Mass:
190.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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