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
-1.5262 -1.9512 0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 -0.7187 0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3575 0.5424 -0.2280 P 0 0 0 0 0 5 0 0 0 0 0 0
-3.6680 -0.1475 -0.5177 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5140 1.4394 1.1779 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0137 1.5206 -1.5503 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2905 -0.3928 0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2924 -1.2976 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6449 -0.9343 0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9910 0.3753 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0078 1.3289 -0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6876 0.9365 -0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5884 -2.1764 0.2541 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8533 -2.7942 0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9821 1.0775 1.9074 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0742 2.4823 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0690 -2.3427 0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4099 -1.6790 0.2682 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0508 0.6394 -0.0772 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2979 2.3674 -0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0410 1.7247 -0.3276 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