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
4.6538 0.8948 -0.2606 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3324 0.9718 -0.2428 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5071 -0.2284 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9931 -1.3778 -0.0186 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1355 -0.0763 -0.1043 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2184 -1.1418 0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1604 -0.5512 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7055 -0.1943 1.1953 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9685 0.3519 1.2202 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6775 0.5389 0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1118 0.1731 -1.1658 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8476 -0.3745 -1.1995 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1248 -0.0939 -0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2515 1.7825 -0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8964 1.9563 -0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3053 -1.8077 -0.8874 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3650 -1.7597 0.9045 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1732 -0.3317 2.1054 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3787 0.6271 2.1979 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6854 0.9781 0.0995 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6941 0.3316 -2.0807 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3804 -0.6687 -2.1218 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