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
-1.9650 0.5075 -0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8173 -0.3662 -0.5155 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4226 -0.0419 0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4008 0.9114 1.1022 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6393 -0.7656 -0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6685 -1.6953 -0.9362 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8431 -0.5140 0.5760 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8406 0.2520 -0.7309 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7645 1.5855 -0.2438 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2296 0.2829 0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1397 -1.4174 -0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7009 -0.2413 -1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4899 1.4860 1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3269 1.1370 1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6462 -1.1206 0.5189 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