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
3.5821 0.2230 -0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3194 0.3020 0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2722 -0.1713 -0.6333 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5659 -0.6605 -1.7585 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1465 -0.1248 -0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1261 -0.5875 -1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4719 -0.5565 -0.8428 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8875 -0.0378 0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9258 0.4323 1.2378 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5629 0.3928 0.9191 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8321 -0.1967 -1.1249 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4141 0.5600 0.4395 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1425 0.7333 1.2071 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7758 -0.9963 -2.0981 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2097 -0.9316 -1.5417 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9200 0.0112 0.6516 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2555 0.8383 2.1864 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1534 0.7702 1.6268 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