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Home > Aldehydes > 1351386-04-3
1351386-04-3 | 3-METHYL-1-PROPYL-1H-PYRAZOLE-5-CARBALDEHYDE
CAS No: 1351386-04-3 Catalog No: AG01AOV1 MDL No:MFCD20491911
Product Description
Catalog Number:
AG01AOV1
Chemical Name:
3-METHYL-1-PROPYL-1H-PYRAZOLE-5-CARBALDEHYDE
CAS Number:
1351386-04-3
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD20491911
IUPAC Name:
5-methyl-2-propylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C8H12N2O/c1-3-4-10-8(6-11)5-7(2)9-10/h5-6H,3-4H2,1-2H3
InChI Key:
XMNQLJREUIWWHK-UHFFFAOYSA-N
SMILES:
CCCn1nc(cc1C=O)C
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:
1.3
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