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
    3.8850    0.3937    0.2986 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2681   -0.8313    0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9708   -1.8736    0.1791 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8134   -0.8861    0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0857    0.2055    0.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3643    0.2587    0.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -0.9086    0.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4724   -0.9016    0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1188    0.3109    0.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4359    1.4994    0.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0524    1.4594    0.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8664    0.5312    0.5063 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3450   -1.8502    0.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6208    1.1745    0.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6433   -1.9047    0.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0289   -1.8332    0.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2136    0.3309    0.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9529    2.4518    0.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4894    2.3736    0.3069 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