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
0.5231 -1.0218 1.5906 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1977 0.2129 1.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2853 0.0750 -0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3206 0.6488 -1.3769 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4532 -0.7118 -0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4040 -1.3424 -0.8466 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5163 -1.1727 1.5055 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6183 0.6356 1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0486 0.8980 1.0239 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0371 0.5404 -2.3717 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1915 1.2379 -1.1924 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