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
3.8133 0.3675 0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0134 -0.6294 0.1226 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5654 -0.4914 0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9305 0.7080 0.4024 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4469 0.8341 0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2173 -0.2853 0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6339 -1.5061 -0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7373 -1.5850 -0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6703 -0.1593 0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3852 -1.1742 0.0375 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3456 1.1184 0.5026 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4693 1.3604 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8832 0.2157 0.2868 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4055 -1.6333 -0.0828 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5076 1.6179 0.5848 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9025 1.8051 0.6324 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2503 -2.4002 -0.2199 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2229 -2.5478 -0.2597 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8650 1.9805 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3951 1.0953 0.1246 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4363 1.3090 1.6010 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