Monomers
Methyl 2-phenylacrylate
Identifiers
IUPAC name
methyl 2-phenylprop-2-enoate
InchI
InChI=1S/C10H10O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InchI Key
GQTXKEVAUZYHGE-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)c1ccccc1
Canonical SMILES
COC(=O)C(=C)C1=CC=CC=C1
Isomeric SMILES
COC(=O)C(=C)C1=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
1.8728
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
4.0115 0.7961 0.4584 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9597 -0.0059 0.0194 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6001 0.3339 0.2073 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4071 1.4160 0.8013 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5650 -0.5576 -0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9142 -1.6627 -0.8968 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8407 -0.2477 -0.1299 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2959 0.5897 0.8914 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6580 0.8554 0.9457 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5349 0.3190 0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0791 -0.5043 -0.9682 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7260 -0.7834 -1.0431 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8539 1.8771 0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1507 0.5841 1.5549 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9177 0.5076 -0.1258 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9604 -1.8785 -1.0247 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2197 -2.3640 -1.2716 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6337 1.0147 1.6225 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0291 1.5063 1.7352 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5975 0.5494 0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7710 -0.9202 -1.6777 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3939 -1.4250 -1.8425 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 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
1 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