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
1.4274 0.9122 -0.0059 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8384 -0.2922 -0.4155 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5762 -1.1058 -0.9899 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5742 -0.5693 -0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3351 0.3176 0.4399 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4036 0.8889 0.2566 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9764 -1.5074 -0.5086 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3759 0.0893 0.6059 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9840 1.2667 0.7924 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