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
4.0187 0.4605 0.7156 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9849 -0.0228 -0.1187 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6360 0.1447 0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4797 0.7336 1.3549 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5591 -0.3488 -0.5884 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9209 -0.9380 -1.7136 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8558 -0.1748 -0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2466 -0.0152 1.0719 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5883 0.1706 1.3575 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5011 0.1917 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1568 0.0358 -0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8190 -0.1470 -1.2381 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8914 -0.1919 0.6768 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6120 0.5838 1.7586 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3322 1.4862 0.3795 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9615 -1.0301 -1.9563 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1537 -1.3179 -2.3568 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5230 -0.0425 1.8935 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8900 0.2981 2.4066 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5631 0.3368 0.5476 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8981 0.0547 -1.7777 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5085 -0.2675 -2.2736 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