Monomers
(1-Phenylvinyl)phosphonic acid
Identifiers
IUPAC name
1-phenylethenylphosphonic acid
InchI
InChI=1S/C8H9O3P/c1-7(12(9,10)11)8-5-3-2-4-6-8/h2-6H,1H2,(H2,9,10,11)
InchI Key
GSSDUXHQPXODCN-UHFFFAOYSA-N
SMILES
C=C(P(=O)(O)O)c1ccccc1
Canonical SMILES
C=C(C1=CC=CC=C1)P(=O)(O)O
Isomeric SMILES
C=C(C1=CC=CC=C1)P(=O)(O)O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H9O3P
Heavy Atom Count
12
Molecular Weight
184.131
Exact Molecular Weight
184.0289
Valence Electrons
64
Radical Electrons
0
tPSA
57.53
MolLogP
1.835
H Bond Acceptors
1
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
-1.5538 1.5429 0.7849 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0232 0.4930 0.2247 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0789 -0.7942 -0.4790 P 0 0 0 0 0 5 0 0 0 0 0 0
-1.7463 -0.9602 -1.9361 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6748 -0.2814 -0.3687 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8200 -2.2730 0.2990 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4046 0.3251 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9138 -0.8326 -0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2780 -0.9888 -0.5335 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1769 -0.0681 -0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6772 1.0650 0.5598 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2841 1.2430 0.6426 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9627 2.3126 1.2053 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6296 1.6472 0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0264 0.0740 -1.2256 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6708 -2.7700 0.2506 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2356 -1.5836 -0.8663 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6951 -1.8781 -1.0021 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2591 -0.2462 -0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3255 1.8281 0.9702 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9366 2.1454 1.1183 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
3 6 1 0
2 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 7 1 0
1 13 1 0
1 14 1 0
5 15 1 0
6 16 1 0
8 17 1 0
9 18 1 0
10 19 1 0
11 20 1 0
12 21 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers