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
3.5607 0.2986 -0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3655 -0.0447 0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1777 0.5204 -0.5768 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3029 1.3458 -1.5111 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1627 0.1610 -0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4271 -0.7263 0.8693 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7271 -1.0243 1.2373 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8142 -0.4598 0.6267 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5738 0.4376 -0.3917 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2786 0.7343 -0.7582 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7213 1.0022 -1.1828 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4212 -0.1364 0.0847 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3010 -0.7573 0.8373 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 -1.2011 1.3848 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9173 -1.7340 2.0428 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8095 -0.7294 0.9553 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4473 0.8705 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0990 1.4431 -1.5624 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