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
-2.0544 0.0978 -0.1795 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8489 -0.3508 0.6124 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4275 0.0432 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4714 0.6972 -1.1788 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6686 -0.3229 0.5999 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6772 -0.9586 1.6980 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8788 0.0406 -0.0107 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0513 1.1682 -0.4203 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9398 -0.0548 0.5045 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1969 -0.5647 -1.0568 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8453 0.0485 1.6398 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8646 -1.4461 0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4095 0.9595 -1.6184 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4460 0.9697 -1.6627 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7143 -0.3269 0.4438 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