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
-3.4896 -0.5979 -0.3458 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1611 -0.7303 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3342 0.4250 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8988 1.5288 0.1870 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1138 0.3060 0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7429 -0.9103 -0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1298 -1.0243 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8480 0.1195 0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2192 1.3378 0.4136 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8517 1.4540 0.3491 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9411 0.3793 -0.1772 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1594 -1.4120 -0.5537 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8006 -1.7284 -0.4658 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2010 -1.8157 -0.3544 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6429 -1.9623 -0.2267 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9329 0.0462 0.2627 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7902 2.2220 0.6293 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3125 2.3625 0.4981 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