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
   -3.8310    0.7431   -0.2990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2968   -0.5374   -0.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0731   -1.5208   -0.3575 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8379   -0.7661   -0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0595    0.2997   -0.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3904    0.1957    0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1130    1.3803    0.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4764    1.2858    0.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1229    0.0675    0.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276   -1.1210    0.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0428   -1.0169    0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7982    0.8932    0.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4819   -1.7700   -0.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5147    1.3025   -0.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6166    2.3415    0.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0845    2.2021    0.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2117    0.0693    0.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9168   -2.0869    0.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4904   -1.9618   -0.0160 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