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
4.8262 -0.0303 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5779 0.0693 -0.6056 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5096 -0.0978 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7902 -0.3359 1.5481 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1547 0.0009 -0.0214 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1935 -0.1792 0.9945 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1916 -0.0511 0.4711 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8349 1.1729 0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1208 1.2936 -0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8218 0.2034 -0.5206 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1805 -1.0169 -0.4955 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8966 -1.1366 -0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1252 -0.2349 0.8054 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6501 0.0940 -0.9317 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3587 0.2742 -1.6353 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3736 0.5227 1.8078 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3600 -1.2096 1.4244 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3200 2.0460 0.8127 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5876 2.2707 -0.0413 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8377 0.3139 -0.9013 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7302 -1.8730 -0.8728 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3978 -2.0965 0.0070 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