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
3.4724 -0.0506 -0.8478 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1664 -0.1887 -0.8813 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3777 0.2456 0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9533 0.7582 1.2875 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0713 0.1073 0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8001 0.5358 1.3709 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1739 0.4298 1.4235 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8899 -0.1052 0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1717 -0.5258 -0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7739 -0.4278 -0.7957 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1174 -0.3508 -1.6576 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9192 0.3827 0.0295 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7438 -0.6245 -1.7694 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2317 0.9610 2.2042 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7154 0.7659 2.2918 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9676 -0.1913 0.4098 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7079 -0.9523 -1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2466 -0.7692 -1.6729 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