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
    0.8383    3.8974    1.5035 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5003    2.7161    0.7384 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1178    2.9672   -0.4314 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6430    1.4717    1.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4616    0.2637    1.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -0.5350   -0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3604   -0.0851   -1.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7705   -0.9287   -2.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7912   -2.2855   -2.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4090   -2.7906   -0.8742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0175   -1.9347    0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7216    4.7862    0.9902 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0213    1.6013    2.4792 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7322   -0.4093    2.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3766    0.9513   -1.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0681   -0.4938   -3.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1086   -2.9512   -2.8952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4371   -3.8641   -0.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2737   -2.3769    1.0488 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