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
3.8316 0.5429 -0.6883 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3032 -0.6049 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0703 -1.5366 0.2039 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8667 -0.7367 0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0404 0.2416 -0.1918 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3889 0.1561 0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1533 1.2589 -0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5170 1.2802 -0.1906 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1174 0.1931 0.3701 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3956 -0.8943 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0218 -0.9139 0.5892 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7126 0.5586 -1.1802 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4865 -1.6183 0.5759 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4700 1.1522 -0.6519 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6571 2.1320 -0.8105 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0723 2.1708 -0.5139 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1885 0.1980 0.5071 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8318 -1.7914 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4378 -1.7882 0.9015 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