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
3.4873 0.8383 -0.3935 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1817 0.9043 -0.2946 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3673 -0.2934 -0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9630 -1.4016 -0.2049 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0921 -0.2488 -0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7707 -1.4709 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1398 -1.5596 0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8638 -0.3856 0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2055 0.8465 0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8256 0.8963 -0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0001 -0.1040 -0.4034 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0606 1.7376 -0.4662 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7019 1.8765 -0.2882 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2226 -2.4019 -0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6592 -2.5016 0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9459 -0.3776 0.2198 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7263 1.7846 0.0571 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3105 1.8609 -0.1321 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