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
Resources
cid=

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
    4.0374   -0.0714   -0.5995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9382   -0.2616    0.2552 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6408   -0.0567   -0.2603 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6031    0.2821   -1.4563 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5206   -0.2561    0.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7526   -0.6090    1.8764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8345   -0.0472    0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2405   -0.0669   -1.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5430    0.1622   -1.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4880    0.4222   -0.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1528    0.4587    0.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    0.2241    1.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7437    0.4904   -1.4956 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5394   -1.0416   -0.8671 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8112    0.5267   -0.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0236   -0.7912    2.6442 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7876   -0.7406    2.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4838   -0.2867   -1.9027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8094    0.1373   -2.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5095    0.6050   -0.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9232    0.6662    1.5001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5677    0.2541    2.1379 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