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
-1.9351 -0.2672 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5355 -0.8051 0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4097 0.3088 0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0315 1.5464 0.3263 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8643 0.0343 0.3951 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6111 1.0197 0.5589 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3958 -1.2210 0.3424 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6382 -1.1359 -0.2207 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2492 0.2903 0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0227 0.4262 -0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3190 -1.3183 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5014 -1.5443 0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6982 2.3639 0.4738 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0648 1.7693 0.2368 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3184 -1.4669 0.7354 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