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Home > Aldehydes > 1001020-17-2
1001020-17-2 | 1H-Pyrazole-4-carboxaldehyde, 3-(1,1-dimethylethyl)-
CAS No: 1001020-17-2 Catalog No: AG0000YN MDL No:MFCD07186448
Product Description
Catalog Number:
AG0000YN
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 3-(1,1-dimethylethyl)-
CAS Number:
1001020-17-2
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD07186448
IUPAC Name:
5-tert-butyl-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C8H12N2O/c1-8(2,3)7-6(5-11)4-9-10-7/h4-5H,1-3H3,(H,9,10)
InChI Key:
JQCJTNPAWAQSFC-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]nc1C(C)(C)C
Properties
Complexity:
151
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:
1
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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