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
-1.4077 -1.3289 -0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1814 0.1054 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2124 0.5382 -0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4606 1.5594 -0.8258 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3186 -0.1339 0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1564 -1.1150 1.4041 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5998 0.3389 0.3880 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4913 -1.4734 -0.4559 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8198 -1.5887 -1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1162 -1.9744 0.5892 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8683 0.8171 -0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3925 0.1655 1.2562 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4712 1.9283 -1.0142 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3231 2.0978 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3813 0.0637 0.9819 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