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
4.4874 0.1988 -0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7391 -0.7657 -0.9882 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2941 -0.6847 -0.8104 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6041 -1.6136 -1.3036 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6563 0.3259 -0.1496 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2695 0.3912 0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2455 -0.2137 1.1442 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5948 -0.1969 1.3825 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4576 0.4217 0.5011 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9155 1.0195 -0.6228 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5595 1.0144 -0.8823 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9283 0.4415 0.7581 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5721 0.1886 -0.5823 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0784 1.0371 0.0584 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2228 -1.5711 -1.5127 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4311 -0.7101 1.8547 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9948 -0.6667 2.2606 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6014 1.5052 -1.3132 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1400 1.4810 -1.7588 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1369 0.5557 1.8202 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4125 -0.4814 0.3811 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3684 1.3212 0.2285 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