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
3.5986 -0.0486 0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2922 -0.2116 0.4784 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3052 0.3115 -0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6819 0.9367 -1.4991 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1071 0.1385 -0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0036 0.6514 -1.1564 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3775 0.5281 -1.0192 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8835 -0.1427 0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0130 -0.6619 1.0164 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6393 -0.5166 0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9980 0.4681 -0.5841 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2872 -0.4520 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9559 -0.7402 1.3564 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6670 1.1892 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0771 0.9307 -1.7381 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9421 -0.2614 0.2369 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3978 -1.1825 1.8785 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0111 -0.9366 1.5866 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