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
3.6224 0.2282 0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3252 0.5182 0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3235 -0.5181 0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7297 -1.7252 0.1713 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1121 -0.2536 0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6534 1.0050 -0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0390 1.1954 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9117 0.1316 -0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3741 -1.1323 0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0104 -1.3134 0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9176 -0.8035 0.1402 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3252 1.0438 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9803 1.5481 -0.0851 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0119 1.8563 -0.1483 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4587 2.2032 -0.2235 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9871 0.2919 -0.1008 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0765 -1.9711 0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5892 -2.3045 0.1724 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