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
2.0143 -0.5332 -0.3498 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8396 0.0938 0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9399 1.2131 0.6298 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4702 -0.4613 -0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5638 0.1665 0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8658 0.0136 -0.3516 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6042 -1.4091 -0.6936 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4712 1.1216 0.6938 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5502 -0.2050 0.0382 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