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
4.3546 0.1572 0.0014 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9339 0.2881 0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5713 1.4649 0.1445 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0871 -0.8405 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8535 -1.1161 0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4030 -0.4143 0.1014 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6123 -1.1471 0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8548 -0.5803 0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9662 0.7772 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8428 1.5473 0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5819 0.9431 0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9455 1.0037 0.0288 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7473 -1.8060 -0.0873 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6625 -2.2711 -0.0585 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5246 -2.2359 0.0087 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7280 -1.2182 0.1438 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9552 1.2503 0.3208 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9381 2.6142 0.3556 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2511 1.5834 0.2200 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