Name: D,L-alanine iso-butyl ester hydrochloride
SMILES:
CC(C)COC(=O)C(C)N.ClMolecular Processing
Molecular formula
C7H16ClNO2
Molecular weight
181.66
Exact mass
181.087
XLogP
0.95
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.857
Molar refractivity
46.69
Supplementary Information
Details werden geladen…
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