CC(C)(C)n1cc(C(=O)O)cn1
CAS: 950858-65-8
Nom: 1-tert-butylpyrazole-4-carboxylic acid
SMILES: CC(C)(C)n1cc(C(=O)O)cn1

Molecular Processing

Molecular formula
C8H12N2O2
Molecular weight
168.2
Exact mass
168.0899
XLogP
1.34
TPSA
55.12
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
44.18

Supplementary Information

InChIKey: UQRFFZHSJYVBMX-UHFFFAOYSA-N
Synonymes
1-tert-butyl-1H-pyrazole-4-carboxylic acid950858-65-8DTXSID40640803RefChem:235365DTXCID50591554845-145-81-TERT-BUTYLPYRAZOLE-4-CARBOXYLIC ACIDMFCD099349341-(tert-Butyl)-1H-pyrazole-4-carboxylic acidSCHEMBL1406534UQRFFZHSJYVBMX-UHFFFAOYSA-NANB85865AKOS000179136CS-W021368SB129981-t-butyl-1H-pyrazole-4-carboxylic acidBS-13647SY107930tert-butyl-1H-pyrazole-4-carboxylic acid1-(tert-Butyl)pyrazole-4-carboxylic Acid1-tert-Butyl-1H-pyrazole-4-carboxylicacidDB-3637811-tert-Butyl 1H-pyrazole-4-carboxylic acidEN300-42340Y10032AB01006753-01F225393Z317041832
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Impliqué dans 6 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→