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
4.6883 -0.1346 -0.9157 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4970 0.2864 -0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3576 -0.6521 -0.6146 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5468 -1.8490 -0.9516 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0879 -0.2506 -0.2782 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0456 -1.0926 -0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 -0.2865 0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1011 1.0425 0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1818 1.8062 0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4300 1.2249 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5879 -0.1151 0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4922 -0.8574 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5226 0.5311 -0.9022 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8293 -1.1536 -1.1989 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3512 1.3175 -0.3017 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2812 -1.4651 -1.3099 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0811 -1.9809 0.3667 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1044 1.5052 0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0628 2.8602 1.0901 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3180 1.7674 1.2312 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5604 -0.6004 0.6783 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5736 -1.9034 -0.0180 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