CC1(C)CNc2cc(C#N)ccc2O1
CAS: 136544-09-7
الاسم: 2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-carbonitrile
SMILES: CC1(C)CNc2cc(C#N)ccc2O1

Molecular Processing

Molecular formula
C11H12N2O
Molecular weight
188.23
Exact mass
188.095
XLogP
2.14
TPSA
45.05
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
54.35

Supplementary Information

InChIKey: DIJIMOVRKFEFGE-UHFFFAOYSA-N
مرادفات
136544-09-72,2-dimethyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonitrile6-cyano-3,4-dihydro-2,2-dimethyl-2H-1,4-benzoxazineSCHEMBL9143323DIJIMOVRKFEFGE-UHFFFAOYSA-N6-cyano3,4-dihydro-2,2-dimethyl-2H-1,4-benzoxazine
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