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
-1.6005 0.0374 -0.8221 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9448 -0.1325 0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4852 0.2553 0.5074 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9290 1.2205 1.2794 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4243 -0.4153 -0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6214 -0.0504 -0.3440 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9830 -1.4357 -1.1851 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8478 0.3880 -1.5731 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9885 -0.9211 -1.1908 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4417 0.7475 -0.7138 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5044 0.3749 1.3433 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9813 -1.2284 0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2312 1.7200 1.9263 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9550 1.5493 1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6798 -2.1094 -1.5096 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