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
-2.0410 -0.0623 -0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6021 0.2208 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3641 -0.5214 -0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7745 -0.2193 -0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6778 -0.9443 -0.5903 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1550 0.8859 0.6512 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2323 -1.0635 -0.4402 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3991 0.6750 -0.7855 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5975 0.1284 0.9153 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3296 1.0788 0.7721 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1107 -1.3796 -0.8966 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1195 1.2018 0.6099 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