CAS: 709046-15-1
الاسم: piperidin-4-one;hydrate
SMILES:
C1CNCCC1=O.OMolecular Processing
Molecular formula
C5H11NO2
Molecular weight
117.15
Exact mass
117.079
XLogP
-0.89
TPSA
60.6
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
2
Fraction Csp3
0.8
Molar refractivity
30.72
Supplementary Information
InChIKey: JQKIHHHTOFFTAM-UHFFFAOYSA-N
مرادفات
Piperidin-4-one hydrate709046-15-14-piperidone monohydrate4-piperidinone, hydrate (1:1)4-piperidone hydrate4-piperidinone hydrate4-piperidone mono hydratepiperidin-4-one, hydrateSCHEMBL757242JQKIHHHTOFFTAM-UHFFFAOYSA-NDTXSID401378276
مشارك في 21 تفاعل→