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
0.7000 -1.6930 0.0846 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6557 -0.4949 -0.5814 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2748 0.4736 0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9244 0.1096 1.1232 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4918 1.7930 -0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6873 2.8569 -0.8769 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3604 -2.2790 -0.3375 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6785 -0.0324 -0.5605 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4148 -0.6046 -1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8065 -0.8849 1.5696 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6248 0.7557 1.6501 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