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
-4.7761 -0.6387 -0.2842 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8679 -0.1747 0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4580 -0.1835 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1041 -0.6357 -0.9410 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4545 0.2822 1.0085 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1137 0.2403 0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4395 1.3031 -0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7564 1.3026 -0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5483 0.2116 -0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0023 -0.8659 0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6918 -0.8468 0.8216 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9626 0.1417 -0.7393 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8326 -0.6560 -0.0615 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4747 -1.0233 -1.2434 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1965 0.1979 1.4956 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1724 2.1598 -0.3054 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1710 2.1585 -1.0895 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6234 -1.7076 0.5804 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2881 -1.6984 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -0.2479 -1.7835 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4041 1.1576 -0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5630 -0.4767 -0.0437 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