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
-3.8013 0.8166 0.4535 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3095 -0.0137 -0.5711 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0960 -0.5380 -1.4108 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8910 -0.2814 -0.6801 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0669 0.2540 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3872 0.0405 0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0131 -0.7297 -0.7699 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3908 -0.8728 -0.7192 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1662 -0.2589 0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5083 0.5196 1.1646 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1425 0.6679 1.1231 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7055 1.2379 0.3142 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5269 -0.9131 -1.4613 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4886 0.8883 0.9557 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4263 -1.2301 -1.5426 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8601 -1.5038 -1.4812 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2433 -0.3861 0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1066 1.0172 1.9357 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6414 1.2856 1.8617 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