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
   -4.2730   -1.1204    0.3424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2988   -0.1632    0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6938    0.9961   -0.1660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8621   -0.4762    0.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0114    0.4663   -0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4158    0.2483   -0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2486    1.3389   -0.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6116    1.2312   -0.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1668   -0.0026   -0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3560   -1.0766    0.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9719   -0.9789    0.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1582   -0.7851    0.7455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5398   -1.4948    0.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3858    1.4612   -0.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8068    2.3249   -0.6065 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    2.0983   -0.6257 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2504   -0.1248   -0.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7685   -2.0719    0.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3663   -1.8706    0.3807 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