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
3.5621 -0.4188 0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2782 -0.5284 0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3480 0.2661 -0.4709 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7685 1.0512 -1.3779 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0917 0.2029 -0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9586 0.9617 -1.0195 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3245 0.9202 -0.8437 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8895 0.1027 0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0351 -0.6633 0.8774 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6645 -0.6115 0.6898 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9015 0.2456 -0.6913 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2590 -0.9992 0.6492 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9575 -1.2051 1.0956 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5929 1.6375 -1.8006 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9958 1.5225 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9763 0.0663 0.2563 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4899 -1.3092 1.6339 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0560 -1.2414 1.3274 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