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
   -3.6900    1.2794   -0.3516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3678   -0.0598   -0.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2521   -0.9292   -0.4182 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828   -0.4425   -0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0315    0.4506   -0.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3822    0.1376    0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3369    1.1277    0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6757    0.9043    0.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1374   -0.3883    0.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2348   -1.4221    0.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8675   -1.1571    0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6419    1.6090   -0.3987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7374   -1.4915   -0.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2982    1.5070   -0.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9895    2.1556    0.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3990    1.7063    0.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2008   -0.5554    0.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5628   -2.4415    0.2558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2151   -1.9902    0.0233 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