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
2.9537 0.8519 -0.2034 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5579 -0.3668 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2771 -0.9499 -0.1006 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3000 -2.2835 -0.1668 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0543 -0.4160 0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3919 0.9065 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7076 1.3667 0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7230 0.4525 0.4172 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4456 -0.8800 0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1502 -1.2874 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3817 1.7233 -0.0973 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0658 1.0046 -0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3907 -1.1513 -0.3484 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3603 1.6520 0.1266 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8866 2.4455 0.4178 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7213 0.8550 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2716 -1.5699 0.3828 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9351 -2.3531 0.0820 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