Monomers
Crotonic acid
Identifiers
IUPAC name
(E)-but-2-enoic acid
InchI
InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
InchI Key
LDHQCZJRKDOVOX-NSCUHMNNSA-N
SMILES
C/C=C/C(=O)O
Canonical SMILES
CC=CC(=O)O
Isomeric SMILES
C/C=C/C(=O)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H6O2
Heavy Atom Count
6
Molecular Weight
86.09
Exact Molecular Weight
86.0368
Valence Electrons
34
Radical Electrons
0
tPSA
37.3
MolLogP
0.6471
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
12 11 0 0 0 0 0 0 0 0999 V2000
-0.9868 -1.0779 0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8107 0.1296 0.8739 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1334 1.0210 0.6292 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0741 0.9044 -0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9384 1.7982 -0.6136 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0753 -0.1660 -1.3508 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1356 -0.8528 -1.0299 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1177 -1.7539 0.2136 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8796 -1.6462 0.3681 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4704 0.2949 1.7039 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2106 1.8975 1.2809 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9692 -0.5488 -1.6696 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
3 4 1 0
4 5 2 0
4 6 1 0
1 7 1 0
1 8 1 0
1 9 1 0
2 10 1 0
3 11 1 0
6 12 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers