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Home > Aldehydes > 890652-02-5
890652-02-5 | 5-METHYL-1-PROPYL-1H-PYRAZOLE-4-CARBALDEHYDE
CAS No: 890652-02-5 Catalog No: AG004110 MDL No:MFCD02855988
Product Description
Catalog Number:
AG004110
Chemical Name:
5-METHYL-1-PROPYL-1H-PYRAZOLE-4-CARBALDEHYDE
CAS Number:
890652-02-5
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD02855988
IUPAC Name:
5-methyl-1-propylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C8H12N2O/c1-3-4-10-7(2)8(6-11)5-9-10/h5-6H,3-4H2,1-2H3
InChI Key:
AUAXPAUSORRXAT-UHFFFAOYSA-N
SMILES:
Cc1c(C=O)cnn1CCC
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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