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
3.5898 -0.1274 0.3782 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3228 0.2642 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2479 -0.6872 0.3523 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5192 -1.8724 0.6454 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1283 -0.2613 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1790 -1.1810 0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5007 -0.8432 0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8623 0.4460 -0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8490 1.3670 -0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5111 1.0200 -0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8040 -1.1556 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3828 0.5947 0.2633 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1401 1.3142 -0.0528 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8682 -2.1971 0.5619 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2814 -1.5845 0.2594 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9010 0.7438 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1523 2.3770 -0.5846 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2268 1.7828 -0.2886 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