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
2.9100 -0.7736 -0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5148 0.4425 0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2450 1.0094 0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2538 2.3189 0.3181 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0554 0.4148 0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1727 1.2846 -0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4309 0.7782 -0.1882 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7214 -0.5640 -0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6433 -1.3970 0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3353 -0.9193 0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0263 -0.9087 -0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3823 -1.6718 -0.2365 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3721 1.2033 0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9802 2.3552 -0.1677 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2764 1.4630 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7367 -0.9483 -0.1897 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7972 -2.4562 0.0753 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4454 -1.6311 0.2444 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