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
-1.5991 -0.8839 -0.5612 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0017 -0.1825 0.6412 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2928 0.4412 0.3218 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4970 1.7507 0.4461 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3844 -0.3924 -0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1847 -1.6231 -0.2579 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6207 0.1403 -0.4578 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1087 -1.7985 -0.1994 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8514 -1.1721 -1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3022 -0.1722 -1.0337 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6964 0.6049 0.9938 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9174 -0.9082 1.4947 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4594 2.1729 0.2026 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2708 2.4312 0.7871 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3088 -0.4082 -0.9205 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