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
-3.4592 0.3554 -1.4969 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8829 0.8620 -0.4358 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5139 0.5480 -0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9813 1.1376 1.0633 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3193 0.8234 1.3678 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1050 -0.0295 0.6011 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5727 -0.6001 -0.5262 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7315 -0.3002 -0.8532 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4817 -0.3192 0.9849 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9616 0.2139 2.0278 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2772 -1.2281 0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9593 -0.3122 -2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4982 0.6502 -1.6773 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4219 1.5458 0.2318 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5779 1.8054 1.6745 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7513 1.2785 2.2711 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1555 -1.2816 -1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1176 -0.7764 -1.7601 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3308 -1.2151 0.5239 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3457 -0.8940 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8429 -2.2639 0.2010 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