이름: 3-Cyano-2-methoxycarbonylamino-propionic acid
SMILES:
COC(=O)NC(CC#N)C(=O)OMolecular Processing
Molecular formula
C6H8N2O4
Molecular weight
172.14
Exact mass
172.0484
XLogP
-0.29
TPSA
99.42
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
37.19
Supplementary Information
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