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
    4.0825    0.7363    0.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9716   -0.1136    0.0167 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6589    0.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4824    1.5479    0.1318 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5522   -0.6241   -0.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8821   -1.9222   -0.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8488   -0.2246   -0.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2877    1.0504   -0.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6112    1.4420   -0.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5416    0.4944   -0.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1991   -0.7842    0.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8422   -1.1283    0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9156    0.0849    0.5678 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9251    1.5469    0.8894 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3712    1.0995   -0.8421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0974   -2.6355   -0.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9282   -2.2309   -0.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5474    1.7938   -0.7841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9089    2.4644   -0.7415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5956    0.7632   -0.1007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9120   -1.5546    0.4917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5727   -2.1290    0.4435 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