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
4.4394 0.3030 -0.6308 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8703 -0.8674 -0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4353 -0.9753 -0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8807 -2.0816 -0.0011 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6744 0.1524 -0.2474 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2965 0.1949 -0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2645 0.3588 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6329 0.4020 1.3639 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5061 0.2830 0.3025 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9534 0.1190 -0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5835 0.0765 -1.1282 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9820 0.3269 0.4792 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8903 1.2321 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5075 0.3788 -0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4426 -1.7822 -0.3759 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4061 0.4537 2.0237 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0791 0.5304 2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6351 0.0228 -1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1350 -0.0528 -2.1144 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3316 -0.7046 0.7597 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2414 0.9544 1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4986 0.6753 -0.4291 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