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
3.0256 0.7614 0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5211 -0.3787 0.3754 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2207 -0.9476 0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1720 -2.2077 0.7833 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0823 -0.4113 0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3519 0.8706 -0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6440 1.3359 -0.6134 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7238 0.5037 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4876 -0.7795 -0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2182 -1.2263 0.2164 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1298 0.8907 0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5397 1.6390 -0.2388 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3318 -1.1282 0.6949 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4448 1.5539 -0.4466 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7907 2.3649 -0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7091 0.8883 -0.7076 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3172 -1.4638 0.0544 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0607 -2.2652 0.5512 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