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
4.4023 0.4527 0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0102 0.3130 0.6255 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5106 0.1882 -0.6764 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3273 0.2049 -1.6303 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0625 0.0437 -0.8761 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2633 0.0337 0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1805 -0.1045 0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9228 -0.1000 1.2503 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2877 -0.2301 1.1625 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9335 -0.3637 -0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1942 -0.3662 -1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8104 -0.2362 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6486 1.4796 1.2232 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9972 0.2560 -0.0696 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7624 -0.2672 1.6145 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7450 -0.0474 -1.8976 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7233 0.1350 1.1368 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3968 0.0052 2.1903 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8763 -0.2289 2.0672 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9990 -0.4657 -0.1414 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6415 -0.4661 -2.1885 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2101 -0.2360 -2.0604 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