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
    3.4798   -0.7151    0.7377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1422   -0.3676    0.4410 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7343    0.8565   -0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6586    1.7122   -0.1640 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3681    1.2004   -0.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1031    2.4180   -0.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7247    0.2536   -0.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8522    0.4385   -0.9445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9147   -0.4387   -0.8096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8998   -1.5019    0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7709   -1.6762    0.8299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7063   -0.8088    0.7048 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4274   -1.6512    1.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9601   -1.0234   -0.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0134    0.0990    1.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9376    3.1358   -0.8832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8998    2.7426   -0.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9525    1.2535   -1.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7995   -0.2964   -1.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7607   -2.1759    0.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7042   -2.5028    1.5423 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1608   -0.9522    1.3108 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