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Home > Aldehydes > 647824-51-9
647824-51-9 | 1-(tert-Butyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CAS No: 647824-51-9 Catalog No: AG003D4F MDL No:MFCD00120293
Product Description
Catalog Number:
AG003D4F
Chemical Name:
1-(tert-Butyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CAS Number:
647824-51-9
Molecular Formula:
C10H16N2O
Molecular Weight:
180.2468
MDL Number:
MFCD00120293
IUPAC Name:
1-tert-butyl-3,5-dimethylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C10H16N2O/c1-7-9(6-13)8(2)12(11-7)10(3,4)5/h6H,1-5H3
InChI Key:
WQHXOHHEPNBXMF-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1C)C(C)(C)C
Properties
Complexity:
198
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:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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