Monomers
2-(Hydroxymethyl)-acrylonitrile
Identifiers
IUPAC name
2-(hydroxymethyl)prop-2-enenitrile
InchI
InChI=1S/C4H5NO/c1-4(2-5)3-6/h6H,1,3H2
InchI Key
QQCSUIMCEIRRKH-UHFFFAOYSA-N
SMILES
OCC(=C)C#N
Canonical SMILES
C=C(CO)C#N
Isomeric SMILES
C=C(CO)C#N
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H5NO
Heavy Atom Count
6
Molecular Weight
83.09
Exact Molecular Weight
83.0371
Valence Electrons
32
Radical Electrons
0
tPSA
44.02
MolLogP
0.0585
H Bond Acceptors
2
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
11 10 0 0 0 0 0 0 0 0999 V2000
0.1862 -1.8829 -0.0748 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7187 -0.8328 -0.1891 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0335 0.4860 -0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2673 0.5144 0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7260 1.7256 -0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2841 2.7395 -0.2641 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3828 -2.0894 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4568 -0.8564 0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2866 -0.8516 -1.1227 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8348 1.4385 0.1625 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8345 -0.3910 0.1524 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 3
3 5 1 0
5 6 3 0
1 7 1 0
2 8 1 0
2 9 1 0
4 10 1 0
4 11 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers