CAS: 300355-27-5
Name: ethyl 3-cyclopentyl-2-(4-nitrophenyl)propanoate
SMILES:
CCOC(=O)C(CC1CCCC1)C2=CC=C(C=C2)[N+](=O)[O-]Molecular Processing
Molecular formula
C16H21NO4
Molecular weight
291.35
Exact mass
291.1471
XLogP
3.82
TPSA
69.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
79.05
Supplementary Information
InChIKey: DBCSSLKEWJGXOG-UHFFFAOYSA-N
Synonyme
3-cyclopentyl-2-(4-nitro-phenyl)-propionic acid ethyl esterSCHEMBL1418921DBCSSLKEWJGXOG-UHFFFAOYSA-N300355-27-5DB-339321
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