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
2.0097 0.3465 0.4018 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8170 -0.0951 -0.1535 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8897 -0.9060 -1.0924 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4572 0.3791 0.3516 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5580 -0.0557 -0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8006 -0.2845 0.3476 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4806 1.0866 1.1721 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5123 -0.7508 -0.9979 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5090 0.2799 0.1632 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