Monomers
Phenyl methacrylate
Identifiers
IUPAC name
phenyl 2-methylprop-2-enoate
InchI
InChI=1S/C10H10O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h3-7H,1H2,2H3
InchI Key
QIWKUEJZZCOPFV-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)Oc1ccccc1
Canonical SMILES
CC(=C)C(=O)OC1=CC=CC=C1
Isomeric SMILES
CC(=C)C(=O)OC1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H10O2
Heavy Atom Count
12
Molecular Weight
162.188
Exact Molecular Weight
162.0681
Valence Electrons
62
Radical Electrons
0
tPSA
26.3
MolLogP
2.1681
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
22 22 0 0 0 0 0 0 0 0999 V2000
-0.6078 -0.0538 1.5307 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1533 0.0669 0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5965 0.2020 0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3119 0.1963 1.4475 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3134 0.3502 -0.9502 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3770 0.0694 -0.7148 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0113 -0.0610 -0.6405 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6269 -1.3070 -0.6774 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9964 -1.4459 -0.6046 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8124 -0.3343 -0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2136 0.9261 -0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8389 1.0372 -0.5269 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8374 0.0922 2.4017 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3777 0.2957 1.4015 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6665 0.8921 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5977 -0.6626 -1.3003 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2597 0.9046 -0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0160 -2.1907 -0.7655 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4967 -2.4057 -0.6315 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8895 -0.4086 -0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8146 1.8192 -0.3641 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3827 2.0176 -0.4962 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 3
3 5 1 0
2 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 7 1 0
4 13 1 0
4 14 1 0
5 15 1 0
5 16 1 0
5 17 1 0
8 18 1 0
9 19 1 0
10 20 1 0
11 21 1 0
12 22 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers