Monomers
2-Propenoic acid, 3-phenyl-, methyl ester
Identifiers
IUPAC name
methyl 3-phenylprop-2-enoate
InchI
InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3
InchI Key
CCRCUPLGCSFEDV-UHFFFAOYSA-N
SMILES
COC(=O)C=Cc1ccccc1
Canonical SMILES
COC(=O)C=CC1=CC=CC=C1
Isomeric SMILES
COC(=O)C=CC1=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
4.4863 0.4895 0.2829 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0587 0.4359 0.2167 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4730 -0.8334 0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1912 -1.8635 0.3094 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0042 -0.9320 0.1697 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2796 0.1682 0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1495 0.1486 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8451 -1.0114 0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2320 -1.0193 -0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9009 0.1589 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2430 1.3563 -0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8464 1.3300 -0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7924 0.9770 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8289 1.1483 -0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9382 -0.5223 0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6044 -1.9264 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7842 1.1301 0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3643 -1.9638 0.0953 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7785 -1.9638 -0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9842 0.1296 -0.1568 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7553 2.2914 -0.1793 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3419 2.2719 -0.0630 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
6 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
5 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