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
3.3660 -0.7813 1.9805 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8970 0.4791 1.6425 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5742 1.4764 1.9865 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6588 0.6968 0.9092 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9005 -0.3052 0.5182 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3471 -0.1816 -0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8793 1.0246 -0.5879 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0852 1.0934 -1.2948 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7785 -0.0437 -1.6410 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2393 -1.2555 -1.2644 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0494 -1.3155 -0.5674 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3190 -0.8613 2.3103 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3572 1.7029 0.6818 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2655 -1.3148 0.7828 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3511 1.9263 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4732 2.0679 -1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7159 0.0317 -2.1915 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7888 -2.1544 -1.5389 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6304 -2.2857 -0.2733 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