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
-1.9330 0.3302 0.4036 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5357 0.7548 0.0822 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4025 -0.3714 -0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0492 -1.6375 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7919 -0.0561 -0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6536 -0.9800 -0.5187 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2496 1.2396 -0.5410 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4602 -0.1464 -0.4537 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9514 -0.3319 1.3151 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5142 1.2427 0.6641 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1863 1.4082 0.9141 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5696 1.3284 -0.8738 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9768 -1.8538 0.3054 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7752 -2.4283 -0.0433 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2052 1.5014 -0.2537 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