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
3.5745 0.2727 -0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2961 0.5066 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2753 -0.4841 -0.2148 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6108 -1.6124 -0.6492 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1299 -0.2600 0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0617 -1.2836 -0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3980 -1.1092 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8373 0.1044 0.5029 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9345 1.1057 0.7385 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5765 0.9512 0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2962 1.0331 -0.0639 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8641 -0.6842 -0.6074 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0042 1.4992 0.3843 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7357 -2.2467 -0.5769 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1478 -1.8793 -0.1483 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9017 0.2402 0.6829 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2888 2.0556 1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0906 1.7906 0.7241 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