Monomers

2-Propenoic acid, 3-phenyl-, methyl ester

Identifiers

IUPAC name
methyl 3-phenylprop-2-enoate
InchI
InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3
InchI Key
CCRCUPLGCSFEDV-UHFFFAOYSA-N
SMILES
COC(=O)C=Cc1ccccc1
Canonical SMILES
COC(=O)C=CC1=CC=CC=C1
Isomeric SMILES
COC(=O)C=CC1=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
    4.4212    0.4315    0.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0262    0.3305    0.3137 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4591   -0.7785   -0.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2326   -1.7161   -0.6052 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9930   -0.8922   -0.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690    0.1380   -0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1616    0.1313   -0.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8745    1.2310    0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2304    1.2563   -0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8841    0.1900   -0.6576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1811   -0.9148   -1.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7914   -0.9276   -0.8998 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6688    1.5185    0.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0055    0.0290   -0.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6751   -0.0665    1.4895 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6196   -1.7907   -0.9824 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7521    1.0043    0.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3436    2.0816    0.5504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7519    2.1487    0.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9541    0.2067   -0.7903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6652   -1.7767   -1.5383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2844   -1.8344   -1.2527 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
  6  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
  5 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