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
-0.1828 1.9301 -0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6719 0.8128 0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2005 -0.5248 0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0904 -1.4271 -0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2091 -0.8978 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1313 -0.1013 0.3862 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5906 -2.1732 -0.2921 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4897 1.6388 -1.1522 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3133 2.7032 0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0522 2.4643 -0.8083 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7748 0.7951 0.5762 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3278 0.9641 1.5787 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7775 -2.4098 -0.5003 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1308 -1.1786 -0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4747 -2.5958 -0.0715 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