Home Other Building Blocks 2-methyl-3-(1-methyl-1H-pyrazol-5-yl)propanal

2-methyl-3-(1-methyl-1H-pyrazol-5-yl)propanal

CAS No.:
1344347-84-7
Catalog Number:
AG01A696
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
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Product Description
Catalog Number:
AG01A696
Chemical Name:
2-methyl-3-(1-methyl-1H-pyrazol-5-yl)propanal
CAS Number:
1344347-84-7
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD20385171
IUPAC Name:
2-methyl-3-(2-methylpyrazol-3-yl)propanal
InChI:
InChI=1S/C8H12N2O/c1-7(6-11)5-8-3-4-9-10(8)2/h3-4,6-7H,5H2,1-2H3
InChI Key:
ACKFOTCTHFASHN-UHFFFAOYSA-N
SMILES:
CC(C=O)Cc1ccnn1C
Properties
Complexity:
138  
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:
3  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties