Monomers

cis-Cinnamic acid

Identifiers

IUPAC name
(Z)-3-phenylprop-2-enoic acid
InchI
InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6-
InchI Key
WBYWAXJHAXSJNI-SREVYHEPSA-N
SMILES
OC(=O)/C=C\c1ccccc1
Canonical SMILES
C1=CC=C(C=C1)C=CC(=O)O
Isomeric SMILES
C1=CC=C(C=C1)/C=C\C(=O)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H8O2
Heavy Atom Count
11
Molecular Weight
148.161
Exact Molecular Weight
148.0524
Valence Electrons
56
Radical Electrons
0
tPSA
37.3
MolLogP
1.7844
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    4.1461    1.3603   -0.7623 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3289    0.3359   -0.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7967   -0.7560    0.0807 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8615    0.5152   -0.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0569   -0.4182    0.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3832   -0.2966    0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0665    0.8229   -0.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4643    0.8936   -0.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2176   -0.1693    0.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5443   -1.3040    0.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1706   -1.3668    0.5404 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1725    1.3060   -0.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4865    1.4492   -0.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5014   -1.3542    0.4166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4874    1.6724   -0.6783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9284    1.8293   -0.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2972   -0.1178    0.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1342   -2.1449    0.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6566   -2.2572    0.8657 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  1 12  1  0
  4 13  1  0
  5 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers