名称: 7-methyl-4-chromanon-8-ylisocyanate
SMILES:
Cc1ccc2c(c1N=C=O)OCCC2=OMolecular Processing
Molecular formula
C11H9NO3
Molecular weight
203.2
Exact mass
203.0582
XLogP
1.93
TPSA
55.73
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
53.4
Supplementary Information
詳細情報を取得中…
3 件の反応に参加→