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
3.9409 -0.0101 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0901 -0.6989 0.4368 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7615 -0.7808 0.0761 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8771 0.1791 0.5681 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2994 1.0888 1.3205 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5214 0.1351 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3880 1.0760 0.7014 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7497 1.0611 0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1841 0.0474 -0.4486 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3363 -0.9109 -0.9478 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9914 -0.8538 -0.6014 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5922 0.4917 -1.1664 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9765 0.0606 -0.0159 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4126 -1.2271 1.3464 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0277 1.8594 1.3486 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4308 1.8068 0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2482 -0.0017 -0.7255 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7168 -1.6948 -1.5999 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3560 -1.6280 -1.0160 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