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
   -4.0893    0.5991    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9774   -0.2625   -0.1273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6632    0.2381   -0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5680    1.4666    0.1025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5331   -0.6620   -0.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.9455   -0.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8753   -0.2131   -0.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8555   -0.9436   -0.8278 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1541   -0.4991   -0.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5387    0.6253   -0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5399    1.3249    0.5912 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2211    0.9076    0.5311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7946    1.3917    0.7474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3883    1.0740   -0.9476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9675    0.0864    0.4438 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0670   -2.6194   -0.4861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7675   -2.2978   -0.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6056   -1.8279   -1.3938 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9027   -1.0986   -1.2764 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5626    0.9518   -0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7318    2.2244    1.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4444    1.4796    1.0618 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