Monomers
1-(4-Vinylphenyl)ethanone
Identifiers
IUPAC name
1-(4-ethenylphenyl)ethanone
InchI
InChI=1S/C10H10O/c1-3-9-4-6-10(7-5-9)8(2)11/h3-7H,1H2,2H3
InchI Key
HDXVSRDSYNPSAE-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)C(=O)C
Canonical SMILES
CC(=O)C1=CC=C(C=C1)C=C
Isomeric SMILES
CC(=O)C1=CC=C(C=C1)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H10O
Heavy Atom Count
11
Molecular Weight
146.189
Exact Molecular Weight
146.0732
Valence Electrons
56
Radical Electrons
0
tPSA
17.07
MolLogP
2.5322
H Bond Acceptors
1
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
21 21 0 0 0 0 0 0 0 0999 V2000
3.9136 0.3667 -0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8067 1.0690 0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4782 0.4915 -0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2533 -0.8625 -0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0180 -1.3864 -0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1040 -0.5511 -0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8826 0.8011 0.0785 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3848 1.3348 0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4451 -1.1100 -0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6122 -2.3504 -0.2202 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5902 -0.1709 0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8789 0.8725 -0.0571 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8846 -0.6999 -0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8787 2.1623 0.1329 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0920 -1.5485 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1541 -2.4763 -0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7440 1.4910 0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5364 2.4190 0.2187 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4966 -0.7871 0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6924 0.4429 -0.8929 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3681 0.4922 0.8997 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
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
6 9 1 0
9 10 2 0
9 11 1 0
8 3 1 0
1 12 1 0
1 13 1 0
2 14 1 0
4 15 1 0
5 16 1 0
7 17 1 0
8 18 1 0
11 19 1 0
11 20 1 0
11 21 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers