Monomers
Phenyl acrylate
Identifiers
IUPAC name
phenyl prop-2-enoate
InchI
InChI=1S/C9H8O2/c1-2-9(10)11-8-6-4-3-5-7-8/h2-7H,1H2
InchI Key
WRAQQYDMVSCOTE-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccccc1
Canonical SMILES
C=CC(=O)OC1=CC=CC=C1
Isomeric SMILES
C=CC(=O)OC1=CC=CC=C1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H8O2
Heavy Atom Count
11
Molecular Weight
148.161
Exact Molecular Weight
148.0524
Valence Electrons
56
Radical Electrons
0
tPSA
26.3
MolLogP
1.778
H Bond Acceptors
2
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
19 19 0 0 0 0 0 0 0 0999 V2000
4.0961 -0.5541 0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0643 -0.7335 -0.5621 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7564 -0.2911 -0.0966 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6419 0.2396 1.0319 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6492 -0.4491 -0.8798 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6322 -0.0614 -0.5246 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0942 1.2022 -0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3830 1.5397 -0.4493 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2092 0.6564 0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7464 -0.6132 0.5172 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4645 -0.9376 0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0647 -0.8793 -0.1006 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0138 -0.0995 1.2117 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2057 -1.1971 -1.5317 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4767 1.9297 -1.3476 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7603 2.5342 -0.6816 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2242 0.9257 0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4081 -1.2927 1.0371 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0932 -1.9188 0.3672 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 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 6 1 0
1 12 1 0
1 13 1 0
2 14 1 0
7 15 1 0
8 16 1 0
9 17 1 0
10 18 1 0
11 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers