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
    4.8213    0.0995   -0.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4430    0.4369   -0.7367 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.2977   -0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7367   -1.3291    0.5064 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0578    0.1379   -0.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1258   -0.5752    0.3931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2626   -0.2066    0.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7235    0.8947   -0.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0845    1.2308   -0.3146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9867    0.4367    0.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5411   -0.6861    0.9902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2035   -1.0109    1.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1911   -0.1552   -1.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9932   -0.7204    0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3576    1.0349   -0.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7889    1.0326   -0.7416 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4343   -1.4850    0.9371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0669    1.5710   -0.8236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3992    2.1184   -0.8434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0574    0.6693    0.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2570   -1.3077    1.4947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8348   -1.8889    1.5233 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