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
    4.5141   -0.1944   -0.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1060   -0.0797   -0.2745 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2908   -1.1952   -0.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8675   -2.2796   -0.6857 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8530   -1.0849   -0.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3065    0.0503    0.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1158    0.2993    0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0447   -0.7118    0.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4080   -0.4525    0.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8772    0.8038    0.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9480    1.8164    0.7270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5920    1.5595    0.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9856    0.7831   -0.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9527   -0.8984    0.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7645   -0.5473   -1.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2570   -1.9714   -0.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9669    0.9304    0.1467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7175   -1.7217   -0.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0892   -1.2811    0.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9326    0.9927    0.7689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2765    2.8245    0.9606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8628    2.3579    0.6187 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