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
3.4933 -0.8104 -0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2571 -0.4494 0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2117 -0.4248 -0.7858 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5078 -0.7645 -1.9756 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1381 -0.0286 -0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1055 -0.0252 -1.4778 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4001 0.3482 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7772 0.7267 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8150 0.7179 1.0605 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5113 0.3465 0.8001 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2328 -0.8141 0.6993 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7307 -1.0942 -1.0744 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0594 -0.1672 1.2553 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8543 -0.3161 -2.4995 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1745 0.3615 -1.9627 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8124 1.0178 0.2665 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0923 1.0102 2.0605 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1877 0.3656 1.6276 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