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
3.9175 -0.5210 0.3787 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1283 -0.5748 -0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7624 -0.6525 -0.5149 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9337 0.4600 -0.4432 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4918 1.5786 -0.5178 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5210 0.3141 -0.2878 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0843 -0.9407 -0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4389 -1.1308 -0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2480 -0.0199 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7014 1.2308 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3355 1.4225 -0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4963 -0.5374 1.3713 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9763 -0.4610 0.2407 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5406 -0.5589 -1.6452 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4614 -1.8225 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8676 -2.1421 -0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3130 -0.1583 0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3537 2.0916 -0.0143 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9221 2.4224 -0.2753 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