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
-2.0425 -0.2754 -0.2909 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6774 -0.8312 0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4014 0.1578 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1694 1.3821 -0.6142 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7681 -0.2731 0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0682 -1.4192 0.4409 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8358 0.6199 -0.1331 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7489 -1.1551 -0.2694 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3702 0.4549 0.4599 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1285 0.1366 -1.3119 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7024 -1.1909 1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5013 -1.7194 -0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9960 2.0651 -0.7551 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8242 1.7524 -0.8207 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7566 0.2954 -0.3721 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