الاسم: crude acid 606
SMILES:
O=C(O)C1CC2(CC2)CN1C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C15H17NO4
Molecular weight
275.3
Exact mass
275.1158
XLogP
2.26
TPSA
66.84
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
71.04
Supplementary Information
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