Monomers
2-Ethylacrylic acid
Identifiers
IUPAC name
2-methylidenebutanoic acid
InchI
InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h2-3H2,1H3,(H,6,7)
InchI Key
WROUWQQRXUBECT-UHFFFAOYSA-N
SMILES
CCC(=C)C(=O)O
Canonical SMILES
CCC(=C)C(=O)O
Isomeric SMILES
CCC(=C)C(=O)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
37.3
MolLogP
1.0372
H Bond Acceptors
1
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
15 14 0 0 0 0 0 0 0 0999 V2000
-2.0269 0.0910 0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7881 0.7776 -0.1185 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3835 -0.1262 -0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3477 -1.3909 0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6460 0.4696 -0.6451 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7527 1.6788 -0.9749 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8171 -0.2949 -0.7439 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2172 -0.8118 -0.2461 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8618 0.8311 0.2752 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9483 -0.2423 1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9789 1.1235 -1.1584 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5083 1.6176 0.5501 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2228 -1.9915 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5692 -1.8179 0.4781 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7287 0.0863 -0.5222 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 2 0
5 7 1 0
1 8 1 0
1 9 1 0
1 10 1 0
2 11 1 0
2 12 1 0
4 13 1 0
4 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers