Monomers

Ethyl 2-(hydroxymethyl)acrylate

Identifiers

IUPAC name
ethyl 2-(hydroxymethyl)prop-2-enoate
InchI
InChI=1S/C6H10O3/c1-3-9-6(8)5(2)4-7/h7H,2-4H2,1H3
InchI Key
SYGAXBISYRORDR-UHFFFAOYSA-N
SMILES
CCOC(=O)C(=C)CO
Canonical SMILES
CCOC(=O)C(=C)CO
Isomeric SMILES
CCOC(=O)C(=C)CO
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H10O3
Heavy Atom Count
9
Molecular Weight
130.143
Exact Molecular Weight
130.063
Valence Electrons
52
Radical Electrons
0
tPSA
46.53
MolLogP
0.098
H Bond Acceptors
3
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

 19 18  0  0  0  0  0  0  0  0999 V2000
    3.4487    0.2656   -0.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -0.1925    0.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0323    0.0949   -0.2098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1520   -0.2770    0.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0960   -0.8538    1.5110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4555   -0.0390   -0.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5495    0.5618   -1.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6738   -0.4640    0.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8362   -0.1585   -0.1672 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1081    1.0238   -1.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1925    0.7026    0.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284   -0.6082   -0.8035 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149   -1.2865    0.7148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2236    0.3637    1.4123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6410    0.8637   -1.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5129    0.7659   -1.8236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7720    0.0273    1.5337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7006   -1.5521    0.7337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1007    0.7623    0.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  6  8  1  0
  8  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  7 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers