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
-1.4461 -1.8195 0.7372 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0554 -0.6403 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3097 0.5879 -0.0214 P 0 0 0 0 0 5 0 0 0 0 0 0
-3.6450 0.0598 0.4425 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9494 2.0589 0.7273 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3828 0.7515 -1.7048 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3716 -0.3257 0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3647 -1.2273 0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6973 -0.8974 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0625 0.3516 -0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0773 1.2841 -0.4739 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7612 0.9325 -0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7897 -2.6407 0.9792 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5282 -2.0008 0.8475 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3235 2.8314 0.2439 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9778 0.0228 -2.0451 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1336 -2.2243 0.7818 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4728 -1.6445 0.4788 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1057 0.6097 -0.3291 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3741 2.2720 -0.8287 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0133 1.6583 -0.5125 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