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
    4.2914    0.6513    0.8036 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1925   -0.1799    0.8921 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3260   -1.2763    1.4799 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8729    0.1914    0.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8527   -0.6045    0.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4359   -0.2563   -0.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6868    0.9209   -0.8126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9496    1.1985   -1.3271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9859    0.3217   -1.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7566   -0.8523   -0.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5202   -1.1416   -0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0049    0.6903    1.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7843    1.1404   -0.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9160   -1.5828    0.9158 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1043    1.6765   -0.9549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862    2.1598   -1.8482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9597    0.5917   -1.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6008   -1.5514   -0.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3633   -2.0974    0.4947 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