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
    4.9047   -0.3100    0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5444   -0.7555   -0.0078 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4970    0.1388    0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7794    1.3496    0.2957 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0869   -0.2796    0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1329    0.6018    0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2914    0.2674    0.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7501   -1.0099   -0.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1252   -1.2723   -0.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0658   -0.2765   -0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6034    1.0054    0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2505    1.2655    0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5290   -0.8957   -0.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417    0.7945   -0.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1903   -0.4051    1.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8980   -1.3343   -0.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4263    1.6552    0.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0465   -1.8159   -0.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4840   -2.2857   -0.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1205   -0.5204   -0.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3265    1.8022    0.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8666    2.2805    0.3594 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