Monomers
Methyl 2-(hydroxymethyl)acrylate
Identifiers
IUPAC name
methyl 2-(hydroxymethyl)prop-2-enoate
InchI
InChI=1S/C5H8O3/c1-4(3-6)5(7)8-2/h6H,1,3H2,2H3
InchI Key
RFUCOAQWQVDBEU-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)CO
Canonical SMILES
COC(=O)C(=C)CO
Isomeric SMILES
COC(=O)C(=C)CO
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O3
Heavy Atom Count
8
Molecular Weight
116.116
Exact Molecular Weight
116.0473
Valence Electrons
46
Radical Electrons
0
tPSA
46.53
MolLogP
-0.2921
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
16 15 0 0 0 0 0 0 0 0999 V2000
2.6938 0.4512 0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2826 0.4751 0.1375 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5335 -0.6350 -0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1520 -1.6550 -0.5831 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9044 -0.5676 -0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6948 -1.5854 -0.3991 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5160 0.7024 0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1197 1.6885 -0.5578 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0929 -0.5871 0.1384 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0893 0.8900 -0.8699 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1117 1.0435 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3413 -2.5434 -0.7464 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7549 -1.4478 -0.2924 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0846 1.0371 1.3447 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6107 0.6169 0.4182 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9293 2.1166 -0.9252 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 2 3
5 7 1 0
7 8 1 0
1 9 1 0
1 10 1 0
1 11 1 0
6 12 1 0
6 13 1 0
7 14 1 0
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers