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
4.5401 0.4535 -1.5933 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7421 -0.4700 -1.1085 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3792 -0.0983 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9717 1.0835 -0.8657 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4717 -1.0100 -0.2117 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1818 -0.6342 0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1627 -0.1788 1.4086 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4607 0.1811 1.7022 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4726 0.1118 0.7733 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1432 -0.3387 -0.4893 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8382 -0.7001 -0.7831 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8707 0.4901 1.0588 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2009 1.4941 -1.7185 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5590 0.2770 -1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1268 -1.4669 -1.0089 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6464 -0.1269 2.1396 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7036 0.5309 2.6915 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9014 -0.4103 -1.2503 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5968 -1.0502 -1.7744 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3690 -0.3427 1.5728 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8911 1.3573 1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4096 0.8478 0.1649 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