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
3.8458 0.2198 -0.9026 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3029 -0.7073 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0324 -1.5326 0.5974 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8456 -0.7229 0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0730 0.1430 -0.3516 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3651 0.1577 -0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0345 -0.6795 0.7351 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4008 -0.6507 0.9483 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1478 0.2738 0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5164 1.1394 -0.5964 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1592 1.0951 -0.7945 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7783 0.5982 -0.6731 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4993 -1.4468 0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5219 0.8551 -1.0526 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4410 -1.4298 1.2875 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8847 -1.3316 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2210 0.3542 0.3874 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0965 1.8950 -1.1558 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6321 1.7699 -1.4764 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