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957483-76-0 | 1-Butyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CAS No: 957483-76-0 Catalog No: AG01F06T MDL No:
Product Description
Catalog Number:
AG01F06T
Chemical Name:
1-Butyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CAS Number:
957483-76-0
Molecular Formula:
C10H16N2O
Molecular Weight:
180.2468
IUPAC Name:
1-butyl-3,5-dimethylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C10H16N2O/c1-4-5-6-12-9(3)10(7-13)8(2)11-12/h7H,4-6H2,1-3H3
InChI Key:
NFYDOXTUOFDYPA-UHFFFAOYSA-N
SMILES:
CCCCn1nc(c(c1C)C=O)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.251g/mol
Monoisotopic Mass:
180.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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