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
3.9369 0.9240 -0.9348 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9778 0.2808 -0.1177 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5976 0.3759 -0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3161 1.0629 -1.3985 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6301 -0.3019 0.4723 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1176 -0.9880 1.4868 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8034 -0.2802 0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6399 -1.2113 0.8442 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0234 -1.1949 0.6755 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5709 -0.2076 -0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7887 0.7541 -0.7029 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4027 0.6842 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8570 0.5697 -1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9343 0.6419 -0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8369 2.0320 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4803 -1.5086 2.1629 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1875 -1.0473 1.6704 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2579 -2.0162 1.4585 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6614 -1.9317 1.1344 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6488 -0.1383 -0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2289 1.5299 -1.3123 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8460 1.4570 -0.9799 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