CCOC=CC#N
Nom: 3-ethoxyprop-2-enenitrile
SMILES: CCOC=CC#N

Molecular Processing

Molecular formula
C5H7NO
Molecular weight
97.12
Exact mass
97.0528
XLogP
1.06
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
7
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
0.4
Molar refractivity
26.38

Supplementary Information

InChIKey: HUPVIAINOSTNBJ-UHFFFAOYSA-N
Synonymes
3-ethoxy-2-propenenitrileDTXSID001312068RefChem:501148DTXCID8017418753-ethoxyprop-2-enenitrile2-Propenenitrile, 3-ethoxy-beta-Ethoxyacrylonitrile3-ethoxy-acrylonitrileSCHEMBL248098STR01235AKOS028108426DB-053834E0388
Voir la source →
Impliqué dans 22 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→