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Home > Aldehydes > 701911-46-8
701911-46-8 | 1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CAS No: 701911-46-8 Catalog No: AG003EAO MDL No:MFCD02253752
Product Description
Catalog Number:
AG003EAO
Chemical Name:
1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CAS Number:
701911-46-8
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD02253752
IUPAC Name:
1-ethyl-3,5-dimethylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C8H12N2O/c1-4-10-7(3)8(5-11)6(2)9-10/h5H,4H2,1-3H3
InChI Key:
NDKOKWXOWTVYJR-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1C)CC
Properties
Complexity:
149
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:
0.8
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