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
    3.8178   -1.0778   -0.5177 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3772    0.1731   -0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1843    1.0975    0.0881 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9445    0.4958   -0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0269   -0.4226   -0.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3835   -0.1241   -0.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2913   -1.1541   -0.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6538   -1.0041   -0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1528    0.2304    0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    1.2807    0.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9344    1.0802    0.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8208   -1.1642   -0.7402 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6445    1.4861    0.2558 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3716   -1.4122   -0.5563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8959   -2.1253   -0.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3329   -1.8423   -0.5702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2388    0.3336    0.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7097    2.2504    0.5708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2820    1.8990    0.4162 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