CC1=CC(=CC(=C1OC(=O)C)C)N
Name: (4-amino-2,6-dimethylphenyl) acetate
SMILES: CC1=CC(=CC(=C1OC(=O)C)C)N

Molecular Processing

Molecular formula
C10H13NO2
Molecular weight
179.22
Exact mass
179.0946
XLogP
1.81
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
51.64

Supplementary Information

InChIKey: BVSPFUXVEQLQQQ-UHFFFAOYSA-N
Synonyme
SCHEMBL7233258BVSPFUXVEQLQQQ-UHFFFAOYSA-N4-amino-2,6-dimethylphenyl acetate
Quelle anzeigen →
An 2 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→