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
4.8162 0.1573 -0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8354 -0.1478 0.7873 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4519 0.0113 0.3505 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1933 0.4364 -0.8058 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3689 -0.2825 1.1458 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0636 -0.1179 0.6945 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5075 -1.2090 0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8125 -1.1530 -0.4225 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5390 0.0090 -0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9336 1.0793 0.3521 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6533 1.0428 0.8408 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9372 0.1079 -0.7914 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5973 0.5231 -1.0344 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8370 0.0476 0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0843 -0.5059 1.7613 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0098 -2.1525 -0.0759 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2916 -1.9762 -0.9136 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4972 1.9812 0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1630 1.8633 1.3352 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9812 0.6288 -1.7666 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6105 0.5752 -0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3309 -0.9184 -0.9575 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