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
1.3821 -1.9880 0.6233 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0672 -0.7741 0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3973 0.3892 -0.0161 P 0 0 0 0 0 5 0 0 0 0 0 0
3.6548 -0.1991 0.5738 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1203 1.8664 0.7490 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5637 0.6264 -1.6827 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3303 -0.3558 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6196 0.9539 -0.2738 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9174 1.3881 -0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9872 0.5572 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7264 -0.7211 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4134 -1.1537 0.3785 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4153 -2.2705 0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6450 -2.7315 0.8142 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8131 2.4844 0.4512 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6503 0.6319 -2.0659 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1587 1.6539 -0.4878 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1248 2.3933 -0.7341 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0156 0.8782 -0.2746 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5041 -1.4479 0.4553 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2290 -2.1812 0.7014 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