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
4.0300 0.9663 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9852 0.0270 0.0390 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6379 0.3761 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3915 1.5959 0.0500 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5753 -0.6058 -0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9696 -1.8803 -0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8291 -0.2716 -0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7554 -1.2416 0.2401 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0996 -0.9274 0.1872 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5824 0.2883 -0.2217 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6836 1.2434 -0.5984 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3279 0.9474 -0.5528 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8972 0.5137 0.6562 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3850 1.2988 -0.8756 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7157 1.9080 0.6489 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0202 -2.1725 -0.1134 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2266 -2.6443 -0.2417 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4886 -2.2281 0.5855 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8186 -1.6970 0.4903 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6313 0.5363 -0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9804 2.2415 -0.9382 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6373 1.7258 -0.8680 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