Monomers
Vinyl benzoate
Identifiers
IUPAC name
ethenyl benzoate
InchI
InChI=1S/C9H8O2/c1-2-11-9(10)8-6-4-3-5-7-8/h2-7H,1H2
InchI Key
KOZCZZVUFDCZGG-UHFFFAOYSA-N
SMILES
C=COC(=O)c1ccccc1
Canonical SMILES
C=COC(=O)C1=CC=CC=C1
Isomeric SMILES
C=COC(=O)C1=CC=CC=C1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H8O2
Heavy Atom Count
11
Molecular Weight
148.161
Exact Molecular Weight
148.0524
Valence Electrons
56
Radical Electrons
0
tPSA
26.3
MolLogP
1.9869
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
19 19 0 0 0 0 0 0 0 0999 V2000
3.6516 1.5244 -0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7440 1.4138 -0.9631 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4473 1.1047 -0.5932 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9483 -0.1702 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7003 -1.1360 -0.7234 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4525 -0.4241 -0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9141 -1.7079 0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2316 -1.9230 0.4019 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0691 -0.8644 0.6726 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5879 0.4177 0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2794 0.6459 0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4049 1.3801 1.0408 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6984 1.7666 -0.2225 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0758 1.5732 -1.9779 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2630 -2.5439 -0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6181 -2.9415 0.4888 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1098 -1.0095 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2716 1.2508 0.7849 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8735 1.6433 0.0963 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 6 1 0
1 12 1 0
1 13 1 0
2 14 1 0
7 15 1 0
8 16 1 0
9 17 1 0
10 18 1 0
11 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers