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
3.9609 -0.0955 -0.2995 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8832 -0.8426 -0.3423 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5391 -0.3698 -0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4743 -1.2584 -0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8178 -0.8565 -0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1347 0.4589 0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0818 1.3452 0.3217 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2470 0.9461 0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5147 0.8704 0.4483 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7348 2.0801 0.6907 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6242 -0.0649 0.3736 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8432 0.9565 -0.0953 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9607 -0.4862 -0.4594 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0398 -1.8980 -0.5505 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6649 -2.3201 -0.4193 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6340 -1.5878 -0.0821 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3127 2.3943 0.5353 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0226 1.7071 0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5455 -0.6222 -0.5988 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5959 0.4699 0.3422 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6397 -0.8265 1.1787 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