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
3.0070 0.0781 0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4702 -0.7387 -0.4656 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1286 -0.9283 -0.8778 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0272 -1.9101 -1.7734 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1093 -0.2862 -0.5281 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2501 0.7376 0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5092 1.2820 0.6197 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6553 0.8399 0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5245 -0.1904 -0.8793 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2886 -0.7387 -1.1456 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1202 0.0033 0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5951 0.8464 0.9734 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2385 -1.4314 -0.9455 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5731 1.1736 0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5772 2.0927 1.3317 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6074 1.2886 0.2461 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4252 -0.5572 -1.3699 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2130 -1.5612 -1.8668 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