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
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
-3.4217 0.1222 -0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1083 0.7267 0.2164 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0115 -0.1311 -0.1413 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2877 0.2836 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4354 1.4150 0.6145 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4610 -0.5145 -0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3620 -1.7137 -0.7899 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8066 0.0167 0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9836 0.2800 1.4287 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8674 -0.3993 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1710 0.9199 -0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4236 -0.5890 -0.9404 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9086 1.7061 -0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0475 0.8541 1.3285 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3484 -2.0930 -0.9966 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2254 -2.2879 -1.0252 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0003 0.9467 -0.5418 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6153 -0.6870 -0.2253 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4339 1.1443 1.5794 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