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
-0.9476 -1.5452 0.8364 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9381 -0.6691 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1518 0.3540 -0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1139 0.4479 -0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1618 1.2249 1.1011 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1854 1.9418 2.0161 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0996 -1.5215 1.3561 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8011 -1.1624 -1.1997 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8848 -0.0609 -0.2826 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8983 1.1714 -0.8143 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1600 -0.1809 -1.8133 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