Monomers
Acrylic acid
Identifiers
IUPAC name
prop-2-enoic acid
InchI
InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
InchI Key
NIXOWILDQLNWCW-UHFFFAOYSA-N
SMILES
OC(=O)C=C
Canonical SMILES
C=CC(=O)O
Isomeric SMILES
C=CC(=O)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C3H4O2
Heavy Atom Count
5
Molecular Weight
72.063
Exact Molecular Weight
72.0211
Valence Electrons
28
Radical Electrons
0
tPSA
37.3
MolLogP
0.257
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
9 8 0 0 0 0 0 0 0 0999 V2000
2.0305 -0.1796 -0.2053 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7429 0.2704 -0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4524 1.3793 -0.6485 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3089 -0.5072 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5498 -0.0645 0.5183 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8157 0.3184 -0.5866 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0533 -1.4858 0.9098 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3449 -0.6177 0.9715 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7847 0.8867 0.0889 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 2 3
1 6 1 0
4 7 1 0
5 8 1 0
5 9 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers