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Home > Aldehydes > 1269293-84-6
1269293-84-6 | 1H-Pyrazole-5-carboxaldehyde, 1-(2-pyrimidinyl)-
CAS No: 1269293-84-6 Catalog No: AG000WE7 MDL No:MFCD20275390
Product Description
Catalog Number:
AG000WE7
Chemical Name:
1H-Pyrazole-5-carboxaldehyde, 1-(2-pyrimidinyl)-
CAS Number:
1269293-84-6
Molecular Formula:
C8H6N4O
Molecular Weight:
174.1594
MDL Number:
MFCD20275390
IUPAC Name:
2-pyrimidin-2-ylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C8H6N4O/c13-6-7-2-5-11-12(7)8-9-3-1-4-10-8/h1-6H
InChI Key:
JOLFRTAXJFBODE-UHFFFAOYSA-N
SMILES:
O=Cc1ccnn1c1ncccn1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.163g/mol
Monoisotopic Mass:
174.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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