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
3.7425 0.8698 1.2403 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2336 -0.0882 0.4966 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9766 0.1294 -0.2051 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3461 1.2141 -0.1285 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4361 -0.8733 -0.9884 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2191 -0.6610 -1.6669 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9164 -0.3530 -0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4820 -1.3358 0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5419 -1.1046 0.8904 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0752 0.1755 0.9457 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5271 1.1609 0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4662 0.9125 -0.6928 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6757 0.7383 1.7744 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2271 1.8286 1.3346 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7589 -1.0221 0.4195 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0020 -1.6353 -2.1958 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3067 0.0816 -2.4867 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0354 -2.3372 -0.0286 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9485 -1.9216 1.5062 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9125 0.3496 1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9577 2.1485 0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0573 1.7233 -1.3141 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