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
-1.9805 -0.2712 0.1386 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5483 -0.7663 0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4114 0.3392 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0400 1.5867 -0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8277 0.0219 -0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7007 0.9356 -0.2599 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2647 -1.2616 0.1205 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6910 -1.0844 0.3325 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1395 0.5171 0.8688 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1427 0.1354 -0.9022 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3979 -1.6078 -0.5474 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3151 -1.1928 1.1732 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7517 2.3726 -0.4132 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0120 1.8077 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2310 -1.5322 -0.0353 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