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
-3.5874 -0.2091 -0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3161 -0.4302 -0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3237 0.3918 0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6955 1.3355 1.0972 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1144 0.2055 0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0228 1.0275 0.7824 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3881 0.9059 0.6502 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8987 -0.0916 -0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0140 -0.9305 -0.7867 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6279 -0.7944 -0.6426 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3377 -0.8289 -0.5377 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9386 0.6077 0.5835 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0295 -1.2358 -0.9196 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6826 1.8459 1.4361 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0832 1.5865 1.1679 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9799 -0.2026 -0.2655 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4369 -1.7087 -1.4111 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0201 -1.4745 -1.1612 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