Monomers
4-Methylphenyl prop-2-enoate
Identifiers
IUPAC name
(4-methylphenyl) prop-2-enoate
InchI
InChI=1S/C10H10O2/c1-3-10(11)12-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3
InchI Key
OJNXPAPLAAGFBJ-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccc(cc1)C
Canonical SMILES
CC1=CC=C(C=C1)OC(=O)C=C
Isomeric SMILES
CC1=CC=C(C=C1)OC(=O)C=C
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
2.0864
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
4.4305 0.6482 -0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8607 -0.5395 -0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4117 -0.6760 -0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8462 -1.8101 -0.1014 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6369 0.4744 -0.0489 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2685 0.3248 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4012 0.2234 1.2216 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7694 0.0740 1.2684 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5014 0.0221 0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8187 0.1242 -1.0915 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4623 0.2731 -1.1683 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9905 -0.1402 0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5034 0.7756 -0.1881 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8482 1.5576 -0.1107 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4544 -1.4404 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1844 0.2656 2.1269 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2461 -0.0004 2.2305 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3763 0.0857 -2.0262 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0704 0.3535 -2.1306 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4108 0.8630 0.2338 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2958 -0.6541 -0.7933 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2427 -0.8042 0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
9 12 1 0
11 6 1 0
1 13 1 0
1 14 1 0
2 15 1 0
7 16 1 0
8 17 1 0
10 18 1 0
11 19 1 0
12 20 1 0
12 21 1 0
12 22 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers