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
-1.0046 -1.5400 -0.0566 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0109 -0.1685 -0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3699 0.3802 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4004 -0.4376 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5944 1.7977 -0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7740 2.9595 -0.0223 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8570 -1.9083 0.3204 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5136 0.2319 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4868 0.2489 -0.9866 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3172 -1.5132 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4168 -0.0505 0.0200 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