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
    4.0731    0.5054   -0.3767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9477   -0.3438   -0.2573 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6791    0.2134   -0.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    1.4357   -0.1324 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5294   -0.6823   -0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7084   -1.9948   -0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8385   -0.1956    0.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1397    1.0521    0.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4445    1.5465    0.6955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4717    0.7314    0.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2109   -0.5261   -0.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9121   -0.9914   -0.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7444    0.3366    0.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6084    0.1734   -1.3128 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7855    1.5646   -0.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1061   -2.6836    0.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333   -2.3418   -0.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3369    1.6841    0.9410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6317    2.5337    1.0892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5061    1.0858    0.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0603   -1.1368   -0.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7506   -1.9666   -0.7122 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