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
4.5859 1.2552 1.0576 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8287 0.1858 0.8892 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4307 0.3502 0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8906 1.4592 0.3256 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5792 -0.7273 0.3140 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2495 -0.5983 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2345 -0.5590 -1.3315 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5907 -0.4268 -1.6082 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5230 -0.3279 -0.5975 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0393 -0.3671 0.6932 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6805 -0.4996 0.9674 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9773 -0.1862 -0.8993 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1893 2.2672 0.9175 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6254 1.2040 1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2813 -0.7769 1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4793 -0.6349 -2.1275 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -0.3968 -2.6282 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7666 -0.2898 1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3478 -0.5255 2.0115 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3044 0.8695 -0.8668 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1674 -0.5581 -1.9123 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5453 -0.7169 -0.1147 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