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
    3.8923   -0.6189   -0.5855 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3221    0.4914    0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0793    1.4244    0.3569 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8783    0.6112    0.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405   -0.3202   -0.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3763   -0.2188    0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9234    0.8713    0.7375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3002    0.9732    0.9625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1205   -0.0596    0.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5946   -1.1760   -0.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2449   -1.2424   -0.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7064   -0.5337   -1.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5633    1.5210    0.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4317   -1.2190   -0.5533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3372    1.7305    1.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7124    1.8663    1.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2097   -0.0171    0.7393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2825   -1.9710   -0.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8122   -2.1126   -0.6879 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