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
    4.8631   -0.0129   -0.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4957    0.2041   -0.9552 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4727   -0.1301   -0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8486   -0.6362    1.0227 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0614    0.0852   -0.3685 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1559   -0.2543    0.5149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2783   -0.0763    0.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1735   -0.4648    1.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5367   -0.3227    1.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0715    0.2202   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1900    0.6067   -0.9866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8181    0.4645   -0.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9963   -0.5230    0.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3495    0.9897   -0.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3717   -0.5955   -1.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8473    0.5255   -1.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4760   -0.6867    1.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8046   -0.8972    2.2202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2035   -0.6377    1.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1526    0.3320   -0.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5751    1.0298   -1.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1341    0.7797   -1.6457 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