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
-1.4591 0.6465 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9910 -0.7397 -0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2850 -1.0052 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2568 0.0664 -0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9810 1.2800 -0.3027 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6215 -0.2364 -0.4845 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1904 1.3192 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5924 0.6437 -0.3124 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1361 1.1355 0.6438 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6860 -1.5612 -0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6198 -2.0234 -0.6084 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2908 0.4746 -0.6590 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