Monomers
Cinnamic acid
Identifiers
IUPAC name
(E)-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-VOTSOKGWSA-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
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
2.7951 1.3666 -0.4565 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9655 0.1315 0.1086 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2561 -0.1110 0.2750 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1100 -0.8894 0.5318 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8768 -1.1379 0.5896 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3196 -0.4338 0.2191 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5748 -1.0561 0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7663 -0.4675 0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8322 0.7797 -0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6495 1.4125 -0.6728 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4312 0.8027 -0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3685 1.6173 -1.2538 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7200 -1.7943 0.9671 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6814 -2.1877 1.0549 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5492 -2.0521 0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7021 -0.9856 0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7716 1.2566 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6385 2.3958 -1.1161 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4615 1.3528 -0.5527 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