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
3.4954 0.9862 0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1429 0.5876 0.0907 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7468 -0.7292 0.1933 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7302 -1.5520 0.3320 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3817 -1.2197 0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1979 -2.5101 0.2596 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7356 -0.3205 -0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9348 -0.7896 -0.5292 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0367 0.0274 -0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9820 1.3587 -0.3359 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7925 1.8332 0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6981 1.0144 0.3324 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0617 0.6695 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5039 2.0997 0.1724 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0080 0.6458 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0221 -3.2132 0.3694 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7768 -2.9479 0.2503 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9798 -1.8484 -0.8194 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9281 -0.4434 -1.1005 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8536 1.9910 -0.4652 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7658 2.8984 0.4521 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1932 1.4619 0.7495 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