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
   -4.3354    1.0217   -0.0505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3212    0.1158    0.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6650   -1.0416    0.5468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9128    0.4222    0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9938   -0.4724    0.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4424   -0.2864    0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9520    0.9160   -0.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3405    1.1048   -0.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2046    0.0643   -0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6930   -1.1614    0.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3206   -1.3107    0.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708    0.8957    0.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6355    1.4079   -0.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3878   -1.4695    0.5898 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3047    1.7454   -0.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7593    2.0492   -0.6286 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2640    0.2353   -0.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.9755    0.5634 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8888   -2.2607    0.7425 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