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
-3.1237 0.9977 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9287 0.5240 0.7118 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8759 -0.4867 -0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9558 -1.0281 -0.6216 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6050 -0.9100 -0.7412 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5849 -1.8690 -1.6527 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6186 -0.2893 -0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6967 -0.2545 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9225 0.2874 -0.8789 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0528 0.8086 0.3898 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0159 0.7890 1.2889 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7812 0.2369 0.9515 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9641 0.7462 0.5854 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2380 0.5471 2.2645 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0808 2.1029 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3489 -2.2295 -2.0778 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5365 -2.2991 -1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5864 -0.6653 -2.2066 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7505 0.3067 -1.5864 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0005 1.2424 0.6761 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1170 1.2019 2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0022 0.2405 1.7216 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