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
-3.9483 -0.2393 0.3541 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0751 0.3411 1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7614 -0.0574 1.1119 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9023 0.5728 0.2199 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3073 1.4841 -0.5572 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5129 0.2055 0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3765 0.8229 -0.7376 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7104 0.4932 -0.8263 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2065 -0.4947 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3817 -1.1231 0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0550 -0.7757 0.9468 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6186 -1.0343 -0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9850 0.0644 0.3552 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3755 1.1337 1.7778 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9682 1.5949 -1.3756 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4029 0.9645 -1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2370 -0.7818 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7405 -1.8986 1.5348 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3820 -1.2723 1.6485 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