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
2.7624 -1.3838 0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3524 -0.5852 -0.8736 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1470 0.1419 -1.0836 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1401 0.8701 -2.1992 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0768 0.2670 -0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1013 1.0970 -0.8586 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2747 1.2320 -0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4924 0.5696 1.0034 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5308 -0.2527 1.5444 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3248 -0.3811 0.8323 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2986 -1.7297 0.9283 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7975 -1.8133 -0.0737 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1148 -0.4148 -1.7109 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9774 1.6381 -1.7855 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0883 1.8698 -0.5498 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4358 0.6855 1.5366 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6942 -0.7779 2.4768 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3836 -1.0326 1.3015 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