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
    4.8841    0.1101   -0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5596    0.4770   -0.2329 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4841   -0.2720    0.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7408   -1.3214    0.8562 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0998    0.1561   -0.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0830   -0.5616    0.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3185   -0.2202    0.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7001    0.9093   -0.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0501    1.2192   -0.7125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0492    0.4170   -0.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6611   -0.7197    0.4627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3362   -1.0377    0.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5174    1.0121   -0.2542 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1174   -0.1109    1.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2526   -0.6862   -0.6921 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9224    1.0558   -0.5960 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2710   -1.4957    0.9514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9547    1.5953   -0.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2987    2.1333   -1.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1024    0.6462   -0.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4303   -1.3726    0.8560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0309   -1.9333    1.2071 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