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
-2.8059 1.3605 -0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4801 0.2384 -0.6436 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3069 -0.5572 -0.7189 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4465 -1.6838 -1.3892 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0173 -0.3603 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0006 -1.3417 -0.4332 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2858 -1.2760 0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6962 -0.1867 0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7675 0.7902 0.9927 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4511 0.7098 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8498 1.7399 -0.2372 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1971 2.0109 0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3817 -0.2375 -1.1904 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6964 -2.2157 -1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0055 -2.0530 -0.2014 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7208 -0.1170 1.0994 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0553 1.6788 1.5771 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2285 1.5007 0.7633 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