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
1.3680 -0.6128 -0.5919 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8644 0.3436 0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6206 1.1164 0.8504 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5624 0.4514 0.4298 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3315 -0.3901 -0.2306 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3598 -0.6586 -0.8103 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9844 1.2101 1.0968 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9411 -1.1384 -0.8867 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3933 -0.3217 -0.1046 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