Home Aldehydes 1-methyl-4-(propan-2-yl)-1H-pyrazole-5-carbaldehyde

1-methyl-4-(propan-2-yl)-1H-pyrazole-5-carbaldehyde

CAS No.:
1781211-50-4
Catalog Number:
AG01EMBC
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
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Product Description
Catalog Number:
AG01EMBC
Chemical Name:
1-methyl-4-(propan-2-yl)-1H-pyrazole-5-carbaldehyde
CAS Number:
1781211-50-4
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD31616549
IUPAC Name:
2-methyl-4-propan-2-ylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C8H12N2O/c1-6(2)7-4-9-10(3)8(7)5-11/h4-6H,1-3H3
InChI Key:
NIPYLEUOTYBHJN-UHFFFAOYSA-N
SMILES:
O=Cc1n(C)ncc1C(C)C
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties