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
2.9965 0.3898 0.7518 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5096 -0.6475 0.1709 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1846 -1.0113 -0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1804 -2.2120 -0.8115 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0741 -0.3380 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3469 0.8824 0.3896 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6281 1.4514 0.4318 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6791 0.7497 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4581 -0.4789 -0.6358 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1910 -1.0226 -0.6685 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0912 0.4089 0.9563 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4775 1.2426 1.0653 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3344 -1.4215 -0.0505 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4349 1.4524 0.8006 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7597 2.4204 0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6747 1.1653 -0.0699 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3051 -1.0389 -1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0923 -1.9922 -1.1127 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