Monomers
Benzyl acrylate
Identifiers
IUPAC name
benzyl prop-2-enoate
InchI
InChI=1S/C10H10O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h2-7H,1,8H2
InchI Key
GCTPMLUUWLLESL-UHFFFAOYSA-N
SMILES
C=CC(=O)OCc1ccccc1
Canonical SMILES
C=CC(=O)OCC1=CC=CC=C1
Isomeric SMILES
C=CC(=O)OCC1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H10O2
Heavy Atom Count
12
Molecular Weight
162.188
Exact Molecular Weight
162.0681
Valence Electrons
62
Radical Electrons
0
tPSA
26.3
MolLogP
1.9158
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
22 22 0 0 0 0 0 0 0 0999 V2000
3.7518 1.0993 0.5162 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7982 0.0000 -0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5403 -0.7178 -0.5216 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6092 -1.7535 -1.2087 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3322 -0.2441 -0.0591 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1710 -0.9949 -0.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0643 -0.4072 0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7691 0.5283 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9286 1.0925 -0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4385 0.7626 1.1032 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7316 -0.1650 1.8422 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5714 -0.7374 1.3708 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6711 1.6136 0.7373 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8256 1.4997 0.8951 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7421 -0.3490 -0.5573 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0520 -1.0892 -1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2993 -2.0379 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3753 0.7993 -1.6049 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4592 1.8179 -0.7412 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3534 1.2136 1.4757 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0914 -0.4566 2.8201 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0101 -1.4740 1.9578 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 7 1 0
1 13 1 0
1 14 1 0
2 15 1 0
6 16 1 0
6 17 1 0
8 18 1 0
9 19 1 0
10 20 1 0
11 21 1 0
12 22 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers