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
3.9826 -0.3510 -0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1397 0.5988 -0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8489 0.6201 -0.0019 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8209 -0.0297 -0.6323 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0997 -0.6593 -1.6957 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5492 -0.0452 -0.1694 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8956 0.6192 0.9713 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2104 0.6250 1.4471 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2039 -0.0623 0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8537 -0.7316 -0.4026 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5427 -0.7175 -0.8465 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9937 -0.3702 -0.5003 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7136 -1.1353 0.5716 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4729 1.3571 -1.1879 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1755 1.1680 1.5565 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4489 1.1622 2.3548 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2308 -0.0740 1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6305 -1.2582 -0.9336 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3309 -1.2654 -1.7612 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