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
3.5080 -0.7114 0.4818 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2813 -0.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2493 0.0985 0.6491 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5562 0.7740 1.6926 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1336 0.1706 0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0473 0.9521 0.8601 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3704 1.0518 0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8285 0.3722 -0.6618 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9253 -0.4073 -1.3471 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6019 -0.4997 -0.9265 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7910 -0.1505 1.3599 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2700 -1.2990 -0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0109 -1.2546 -0.8731 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7016 1.4994 1.7456 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0468 1.6806 1.0239 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8682 0.4882 -0.9332 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2481 -0.9520 -2.2195 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1048 -1.1196 -1.4763 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