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
3.0374 0.5808 -0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5077 -0.5863 -0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1802 -1.0707 0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1128 -2.3984 0.0874 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1089 -0.4414 0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2821 -1.1992 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5327 -0.6489 0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6766 0.7179 0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5559 1.4960 0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2774 0.9019 0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6068 1.5551 -0.1038 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1668 0.6352 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2853 -1.4170 -0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2136 -2.2705 0.1768 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4417 -1.2332 0.2321 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6788 1.1756 0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6593 2.5869 0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5300 1.6161 -0.0223 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