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
   -4.5289    0.2134    0.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1069    0.1364    0.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4443   -0.9900   -0.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1265   -2.0063   -0.5178 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9893   -0.9750   -0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3092    0.1068   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1254    0.2054   -0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9340   -0.8331   -0.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3073   -0.7538   -0.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9199    0.4136   -0.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1680    1.4951    0.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7972    1.3865    0.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0256   -0.5674   -0.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7807    0.1257    1.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8040    1.2422   -0.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4847   -1.8607   -0.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8351    1.0259    0.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4718   -1.7838   -0.7381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8585   -1.6499   -0.8464 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0056    0.4419   -0.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6619    2.4076    0.4632 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1855    2.2197    0.5598 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