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
    4.3873    0.2283   -0.4648 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2938   -0.5696   -0.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -1.7885    0.0212 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9664   -0.0032   -0.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8984   -0.7340    0.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4573   -0.2029    0.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5360   -1.0583    0.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8313   -0.5936    0.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1445    0.7294    0.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0934    1.5774   -0.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7716    1.1115   -0.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3362   -0.0709   -0.2213 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8660    1.0548   -0.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0454   -1.7923    0.2451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2947   -2.1095    0.5242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6407   -1.2803    0.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1781    1.0803    0.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3382    2.6152   -0.3178 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0297    1.8061   -0.3757 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