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
-1.2511 1.3737 -0.3920 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0099 0.1449 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4074 -0.2396 0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7287 -1.3641 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4109 0.6175 0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2047 1.3173 1.2265 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3033 2.1182 0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6663 -0.6536 -0.1259 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2563 0.3074 1.3152 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0383 -1.9614 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7735 -1.6604 -0.5141 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