Monomers
Ethyl 3-phenylprop-2-enoate
Identifiers
IUPAC name
ethyl 3-phenylprop-2-enoate
InchI
InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3
InchI Key
KBEBGUQPQBELIU-UHFFFAOYSA-N
SMILES
CCOC(=O)C=Cc1ccccc1
Canonical SMILES
CCOC(=O)C=CC1=CC=CC=C1
Isomeric SMILES
CCOC(=O)C=CC1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H12O2
Heavy Atom Count
13
Molecular Weight
176.215
Exact Molecular Weight
176.0837
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
2.2629
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
25 25 0 0 0 0 0 0 0 0999 V2000
5.0939 0.3856 0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6757 0.9131 0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8206 -0.2128 0.0628 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3878 -0.0197 0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1199 1.1985 0.1396 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5236 -1.1386 0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7232 -1.4051 0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9563 -0.6716 0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0324 0.6915 0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2523 1.3547 0.1797 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4242 0.6604 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3890 -0.7052 0.3515 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1897 -1.3622 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4394 0.0740 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7802 1.1476 -0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1698 -0.5290 -0.6114 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5281 1.5567 0.9418 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5009 1.4707 -0.8762 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1472 -2.1358 0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9574 -2.5566 0.1094 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1964 1.3080 0.0185 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2505 2.4633 0.1324 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3638 1.1722 0.3438 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3071 -1.2345 0.4419 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1447 -2.4253 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 3
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 8 1 0
1 14 1 0
1 15 1 0
1 16 1 0
2 17 1 0
2 18 1 0
6 19 1 0
7 20 1 0
9 21 1 0
10 22 1 0
11 23 1 0
12 24 1 0
13 25 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers