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
1.9718 0.0489 0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5583 0.2512 0.7584 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4228 -0.1050 -0.3181 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0052 -0.5310 -1.4862 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8319 0.0309 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6675 -0.2603 -0.9235 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2805 0.4782 1.1845 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1331 -0.9988 0.0251 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1480 0.7080 -0.5716 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6319 0.3729 1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3382 -0.4152 1.6128 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3563 1.3020 1.0288 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7077 -0.7843 -2.2521 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0456 -0.6200 -1.6579 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2677 0.5225 1.4311 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