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
3.6223 -1.2416 -0.3264 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0635 -0.0564 -0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6263 0.1329 -0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1238 1.4187 0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2402 1.6070 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1427 0.5771 0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6264 -0.6917 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7506 -0.9182 -0.1226 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5889 0.8199 0.2267 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0388 1.9892 0.3509 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5603 -0.2774 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0786 -2.1723 -0.3696 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7109 -1.3621 -0.4035 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7303 0.8044 -0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8426 2.2238 0.0691 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6176 2.6209 0.2536 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2545 -1.5433 -0.0505 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0846 -1.9399 -0.2275 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2610 -1.1286 -0.4455 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5319 0.0849 -0.2167 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7713 -0.6475 1.2223 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