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
3.7638 0.2789 -0.2539 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1056 -0.4599 -1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6512 -0.5575 -1.0951 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0275 -1.2508 -1.9186 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9621 0.1304 -0.1318 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4193 0.1185 0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0561 -0.8158 0.8002 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4366 -0.7776 0.9002 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1403 0.1901 0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5217 1.1303 -0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1392 1.0772 -0.6766 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2162 0.8174 0.5012 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8422 0.3268 -0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6462 -1.0147 -1.9072 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5024 -1.5767 1.3448 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9800 -1.5059 1.5225 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2207 0.1976 0.3034 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1213 1.8622 -1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6770 1.8294 -1.3099 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