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
3.5338 -0.8765 0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1767 -0.4939 -0.0145 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7537 0.8046 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6970 1.6622 -0.2912 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3642 1.2114 -0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1201 2.4916 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7396 0.2887 -0.1078 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9713 0.6327 -0.6389 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0599 -0.2117 -0.5366 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9139 -1.4098 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7122 -1.8021 0.6481 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6563 -0.9359 0.5259 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0663 -0.4164 0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0426 -0.6252 -0.9233 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5377 -1.9855 0.1943 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9167 3.2323 -0.4928 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8881 2.8513 -0.4126 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1465 1.5837 -1.1743 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0340 0.0624 -0.9573 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7787 -2.0816 0.1836 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5960 -2.7638 1.1603 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2874 -1.2185 0.9527 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