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
-0.6333 -1.6765 -1.5414 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5443 -0.9730 -0.4296 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7109 -1.3782 0.8737 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.8830 -1.9104 2.0366 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7455 -2.5827 0.3807 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5165 -0.0099 1.4308 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4434 0.0854 -0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3600 0.4446 -1.2025 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2809 1.4580 -0.9821 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2526 2.0960 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3541 1.7836 1.2337 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4656 0.7684 0.9532 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3607 -2.4605 -1.6854 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0260 -1.5024 -2.3770 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6435 -2.2199 0.1162 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5672 0.7127 0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3892 -0.0454 -2.1415 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0062 1.7456 -1.7334 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9503 2.8939 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3271 2.2807 2.1815 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2504 0.4900 1.7051 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