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
    3.9163   -0.1017   -1.0289 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0963   -1.1915   -0.7228 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6531   -2.3164   -0.7187 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6950   -1.0585   -0.4265 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0749    0.1045   -0.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3190    0.2679   -0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1764   -0.7687    0.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5222   -0.5867    0.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0518    0.6878    0.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2093    1.7264    0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8696    1.5540   -0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8972   -0.0797   -0.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -1.9567   -0.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6727    0.9743   -0.6525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8216   -1.7879    0.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1790   -1.4250    0.6983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1076    0.8182    0.6499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401    2.7319    0.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2466    2.4078   -0.3888 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