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
1.3952 0.8941 -0.3313 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6868 0.2350 0.6444 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1459 0.2505 1.8123 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5486 -0.4709 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0729 -0.5133 -0.8187 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0559 1.6294 -0.1849 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1070 -0.9893 1.1717 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5638 -0.0089 -1.6545 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9917 -1.0267 -1.0461 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