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
    4.1072    0.2432   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9432   -0.5555    0.1503 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6821    0.0621   -0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6562    1.2605   -0.3816 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4767   -0.6983    0.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6098   -1.9559    0.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8380   -0.1089    0.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9516   -0.9235   -0.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2223   -0.4325   -0.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4617    0.9163   -0.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3962    1.7412   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1025    1.2232    0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9850   -0.4052   -0.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3665    0.8632    0.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9608    0.8739   -1.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2330   -2.5901    0.7983 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5781   -2.4226    0.7125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7648   -1.9870   -0.3021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0523   -1.1114   -0.5705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4766    1.2698   -0.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5656    2.8057    0.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3009    1.9319    0.3676 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