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
3.5670 0.0135 -0.5409 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3355 0.3007 -0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1970 -0.4844 -0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4019 -1.4520 -1.3620 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1778 -0.2156 -0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2170 -1.0124 -0.6537 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5276 -0.8009 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7924 0.2539 0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7878 1.0650 1.0245 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4646 0.8380 0.6629 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3928 0.6145 -0.1955 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7092 -0.8244 -1.2055 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1967 1.1411 0.5199 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9834 -1.8487 -1.3298 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3394 -1.4435 -0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8077 0.4452 0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0084 1.9047 1.7014 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3060 1.5053 1.0672 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