Monomers
Acrylophenone
Identifiers
IUPAC name
1-phenylprop-2-en-1-one
InchI
InChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h2-7H,1H2
InchI Key
KUIZKZHDMPERHR-UHFFFAOYSA-N
SMILES
C=CC(=O)c1ccccc1
Canonical SMILES
C=CC(=O)C1=CC=CC=C1
Isomeric SMILES
C=CC(=O)C1=CC=CC=C1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H8O
Heavy Atom Count
10
Molecular Weight
132.162
Exact Molecular Weight
132.0575
Valence Electrons
50
Radical Electrons
0
tPSA
17.07
MolLogP
2.0553
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
18 18 0 0 0 0 0 0 0 0999 V2000
3.5762 -0.3233 -0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2930 -0.5901 -0.2584 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3347 0.4879 -0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7393 1.7010 -0.3011 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1068 0.2936 -0.2552 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9988 1.3476 -0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3661 1.1830 -0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8967 -0.1014 -0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0234 -1.1434 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6362 -0.9775 -0.2239 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8828 0.7117 -0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2837 -1.1402 -0.2649 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9733 -1.6102 -0.2343 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5863 2.3596 -0.2939 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0420 2.0365 -0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9733 -0.2051 -0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4191 -2.1633 -0.1832 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0344 -1.8667 -0.2109 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
3 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 5 1 0
1 11 1 0
1 12 1 0
2 13 1 0
6 14 1 0
7 15 1 0
8 16 1 0
9 17 1 0
10 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers