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
1.8436 -0.2919 -0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9903 0.4842 0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4551 0.3675 0.3298 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1465 1.4529 0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1016 -0.9337 0.3386 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4575 -1.9910 0.5924 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4550 -1.0947 0.0711 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2215 -1.0237 -0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6412 -0.8439 0.2034 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2991 0.3998 -1.0951 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3162 1.5367 0.5903 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1423 0.0873 1.6544 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7204 2.4448 0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1985 1.3561 -0.1482 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9196 -1.9504 0.3669 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