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
3.9964 0.4787 0.4729 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1307 -0.4874 0.7224 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7718 -0.2916 0.8908 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9126 -0.3431 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4078 -0.5726 -1.3129 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5305 -0.1428 -0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0994 0.1111 1.1724 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4551 0.3014 1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2976 0.2436 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6930 -0.0138 -1.0206 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3393 -0.2033 -1.1512 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0369 0.3349 0.3431 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6059 1.4947 0.3962 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5113 -1.4918 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4692 0.1600 2.0366 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8741 0.4999 2.2908 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3735 0.3912 0.2868 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3067 -0.0708 -1.9251 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9350 -0.3985 -2.1245 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