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
3.6099 1.5734 -1.1241 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0797 0.9939 -0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7477 0.7984 0.1643 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0002 -0.2890 -0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5830 -1.2191 -0.8101 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4287 -0.4126 0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1359 0.5666 0.7534 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4828 0.4682 1.0336 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1834 -0.6565 0.6394 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4885 -1.6431 -0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1300 -1.5321 -0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6501 1.7062 -1.2632 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8690 1.9139 -1.8665 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7726 0.6465 0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6326 1.4642 1.0818 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0335 1.2336 1.5533 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2459 -0.7619 0.8464 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9688 -2.5537 -0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5819 -2.2970 -0.8224 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