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
1.4542 1.8860 -0.7293 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0633 0.6739 -0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3143 -0.6095 -0.3740 P 0 0 0 0 0 5 0 0 0 0 0 0
3.6977 -0.0099 -0.4675 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2503 -1.3994 1.1421 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1179 -1.7109 -1.6168 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3255 0.3755 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3237 1.3117 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6463 0.9790 0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9493 -0.3063 0.6084 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9627 -1.2774 0.6056 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6636 -0.9292 0.2745 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4678 2.0755 -0.9709 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7709 2.7138 -0.7682 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2885 -0.6538 1.8159 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1236 -2.6595 -1.3215 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1218 2.3292 -0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4200 1.7523 0.2887 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9840 -0.5686 0.8691 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2541 -2.2883 0.8676 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1026 -1.6841 0.2721 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