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Home Aldehydes 1-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrole-3-carbaldehyde

1-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrole-3-carbaldehyde

CAS No.:
1909320-16-6
Catalog Number:
AG01C5IX
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
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Product Description
Catalog Number:
AG01C5IX
Chemical Name:
1-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrole-3-carbaldehyde
CAS Number:
1909320-16-6
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
MDL Number:
MFCD29907079
IUPAC Name:
1-(1-methylpyrazol-4-yl)pyrrole-3-carbaldehyde
InChI:
InChI=1S/C9H9N3O/c1-11-6-9(4-10-11)12-3-2-8(5-12)7-13/h2-7H,1H3
InChI Key:
MISJBFIEJTZSMH-UHFFFAOYSA-N
SMILES:
O=Cc1ccn(c1)c1cnn(c1)C
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.075g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.191g/mol
Monoisotopic Mass:
175.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties