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 0.0300 -0.2053 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9604 -0.4746 0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5669 -0.2029 0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5404 -0.7617 0.8925 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7869 -0.5306 0.6152 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1696 0.2752 -0.4306 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1677 0.8399 -1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1791 0.6046 -0.9044 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5838 0.5141 -0.7165 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9750 1.2349 -1.6512 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5906 -0.1402 0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8042 0.6682 -1.0366 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9691 -0.2009 0.0779 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1491 -1.1378 1.3362 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8353 -1.4064 1.7294 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5502 -0.9887 1.2278 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4682 1.4835 -2.0223 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9077 1.0734 -1.5304 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6724 -1.2262 -0.0218 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6057 0.2897 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3030 0.0566 1.2111 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