Monomers
Methyl 2-benzylacrylate
Identifiers
IUPAC name
methyl 2-benzylprop-2-enoate
InchI
InChI=1S/C11H12O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InchI Key
DQQJYBYIABSMFM-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)Cc1ccccc1
Canonical SMILES
COC(=O)C(=C)CC1=CC=CC=C1
Isomeric SMILES
COC(=O)C(=C)CC1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H12O2
Heavy Atom Count
13
Molecular Weight
176.215
Exact Molecular Weight
176.0837
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
1.9583
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
25 25 0 0 0 0 0 0 0 0999 V2000
2.4627 0.7124 -2.0905 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6142 -0.0597 -1.2974 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9418 -0.6091 -0.0831 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0850 -0.4213 0.3777 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9807 -1.3925 0.6515 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3540 -1.9021 1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4044 -1.6753 0.1914 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1210 -0.3870 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2930 0.1379 -1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9535 1.3517 -1.3749 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4344 2.0227 -0.2842 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2579 1.4872 0.9644 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6151 0.3034 1.1447 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6361 0.2159 -3.0700 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9699 1.6924 -2.3413 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4149 0.9898 -1.5907 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6543 -2.4829 2.3775 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3696 -1.7045 2.1766 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3646 -2.2445 -0.7469 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9482 -2.2939 0.9239 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9415 -0.3532 -2.1129 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0974 1.7834 -2.3657 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9611 2.9756 -0.3334 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6342 2.0051 1.8564 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4569 -0.1514 2.1205 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 2 3
5 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 8 1 0
1 14 1 0
1 15 1 0
1 16 1 0
6 17 1 0
6 18 1 0
7 19 1 0
7 20 1 0
9 21 1 0
10 22 1 0
11 23 1 0
12 24 1 0
13 25 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers