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
1.3175 -0.8187 -1.8722 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0484 -0.2805 -0.7074 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3398 0.3313 0.3783 P 0 0 0 0 0 5 0 0 0 0 0 0
3.6778 0.2584 -0.3189 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3076 -0.5262 1.8164 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9803 1.9627 0.7162 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3450 -0.1748 -0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4134 -0.6051 -1.0201 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7400 -0.4981 -0.5987 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0083 0.0691 0.6282 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9502 0.5107 1.3949 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6519 0.3971 0.9638 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3880 -0.8727 -2.1445 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5959 -1.2021 -2.5656 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1222 -1.0334 2.0031 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1099 2.5217 -0.0959 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2679 -1.0585 -1.9905 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5373 -0.8583 -1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0252 0.1622 0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1246 0.9699 2.3816 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1765 0.7454 1.5693 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