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342600-58-2 | 5-(pyrimidin-5-yl)furan-2-carbaldehyde
CAS No: 342600-58-2 Catalog No: AG01BTDL MDL No:MFCD06802619
Product Description
Catalog Number:
AG01BTDL
Chemical Name:
5-(pyrimidin-5-yl)furan-2-carbaldehyde
CAS Number:
342600-58-2
Molecular Formula:
C9H6N2O2
Molecular Weight:
174.1561
MDL Number:
MFCD06802619
IUPAC Name:
5-pyrimidin-5-ylfuran-2-carbaldehyde
InChI:
InChI=1S/C9H6N2O2/c12-5-8-1-2-9(13-8)7-3-10-6-11-4-7/h1-6H
InChI Key:
TWJSPIIJOLBLDQ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)c1cncnc1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.159g/mol
Monoisotopic Mass:
174.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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