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
3.8742 -1.3246 1.1484 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3171 -0.6136 0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0624 0.1043 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5103 0.0273 1.4937 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4574 0.8509 -0.6117 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2545 1.5520 -0.4757 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9131 0.7316 -0.1453 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9260 -0.6556 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0776 -1.3811 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2208 -0.6968 0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2365 0.6705 0.5317 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0892 1.3626 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8024 -1.8548 1.0113 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4137 -1.4050 2.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8326 -0.5804 -0.7643 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3358 2.4135 0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0457 2.0203 -1.4828 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0248 -1.1806 -0.4225 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0556 -2.4506 0.1619 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1153 -1.2376 0.7725 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1462 1.2053 0.8013 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1011 2.4423 0.2151 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