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
    2.9731    0.0132   -0.9365 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2983   -0.7840    0.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9159   -0.8316    0.0514 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0499    0.2305    0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5807    1.3787    0.2446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3890    0.0517    0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8626   -1.1681   -0.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3511    1.1705    0.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6489    0.7070   -0.0199 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4979   -0.0738   -1.9354 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0111   -0.4072   -1.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1400    1.0859   -0.6488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6749   -1.8449    0.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6687   -0.4117    1.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9225   -1.3830   -0.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2122   -2.0426   -0.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1667    1.9233   -0.7102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2152    1.7029    1.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0422    0.6832    0.8755 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