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
-1.6525 -0.8049 0.6691 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1077 0.1134 -0.3776 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3137 0.4281 -0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6635 1.6878 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3773 -0.5666 -0.2712 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1521 -1.8051 -0.4208 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7058 -0.1992 -0.1356 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9705 -1.5731 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5486 -1.3178 0.2117 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0550 -0.2672 1.5509 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6871 1.0529 -0.3516 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2563 -0.2934 -1.4186 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6871 1.9667 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0797 2.4624 -0.0504 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4578 -0.8840 -0.1235 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