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
Resources
cid=

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
    1.5338   -0.4200   -1.1632 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3158   -0.8307   -0.6426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3508    0.2326    0.1482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6080   -0.0012    1.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6668    1.4536   -0.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9113    2.4556   -1.0825 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9993    0.1741   -0.5219 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5208   -1.7391   -0.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3991   -1.1468   -1.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3444   -0.9299    1.8444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0893    0.7517    1.9987 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