CCCCCCN=C=O
CAS: 2525-62-4
Nom: 1-isocyanatohexane
SMILES: CCCCCCN=C=O

Molecular Processing

Molecular formula
C7H13NO
Molecular weight
127.19
Exact mass
127.0997
XLogP
1.9
TPSA
29.43
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
37.13

Supplementary Information

InChIKey: ANJPRQPHZGHVQB-UHFFFAOYSA-N
Synonymes
Hexyl isocyanate1-IsocyanatohexaneHexane, 1-isocyanato-1-Hexyl isocyanaten-Hexyl isocyanatehexylmonoisocyanatehexyl monoisocyanateK9T9YK3VJUEINECS 219-763-8CHEBI:59058DTXSID8062492RefChem:146345DTXCID8037251ANJPRQPHZGHVQB-UHFFFAOYSA-N2525-62-4MFCD00037047hexanisocyanateHMIIsocyanic acid n-hexyl esterHexylisocyanateisocyanatohexaneisocyanato-hexanen-Hexylisocyanate1-isocyanatohexann-hexyl-isocyanate1-Isocyanatohexane #Hexyl isocyanate, 97%UNII-K9T9YK3VJUEpitope ID:122965Isocyanic Acid Hexyl Ester
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→