Monomers
Methyl 2-phenylacrylate
Identifiers
IUPAC name
methyl 2-phenylprop-2-enoate
InchI
InChI=1S/C10H10O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InchI Key
GQTXKEVAUZYHGE-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)c1ccccc1
Canonical SMILES
COC(=O)C(=C)C1=CC=CC=C1
Isomeric SMILES
COC(=O)C(=C)C1=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
1.8728
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
-4.0526 0.6812 0.4825 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9733 -0.0418 -0.0911 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6515 0.2931 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4967 1.2343 1.0242 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5729 -0.4751 -0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9351 -1.4503 -1.2211 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8458 -0.2064 -0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8269 -0.6291 -0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1760 -0.3856 -0.7339 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5785 0.2883 0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6155 0.7214 1.2741 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2637 0.4647 0.9909 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3139 0.1829 1.4213 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8970 0.5970 -0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7839 1.7341 0.5678 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9880 -1.6349 -1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1945 -2.0566 -1.6988 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5349 -1.1544 -1.8924 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9204 -0.7286 -1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6227 0.4775 0.5999 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9076 1.2564 2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5673 0.8320 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 2 3
5 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
1 13 1 0
1 14 1 0
1 15 1 0
6 16 1 0
6 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