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
    4.5770    0.0303    0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1594    0.0244    0.1591 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4322   -0.1531   -1.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1068   -0.3094   -2.0704 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9767   -0.1539   -1.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3009    0.0091    0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1540    0.0225    0.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7693    0.2057    1.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1501    0.2248    1.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9775    0.0603    0.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3794   -0.1224   -0.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9863   -0.1415   -0.9001 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9769    0.6017   -0.6799 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8834    0.5858    1.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9978   -0.9925    0.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4614   -0.2945   -1.9456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8681    0.1500    1.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1156    0.3370    2.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5993    0.3722    2.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0467    0.0825    0.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0188   -0.2521   -1.6199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5436   -0.2868   -1.8750 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