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
-1.4509 0.6463 -0.4104 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9056 -0.2655 0.6215 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3277 -0.6731 0.5394 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1832 -0.2482 -0.5507 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8345 0.5196 -1.4804 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5215 -0.6882 -0.6433 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5311 0.8507 -0.1487 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9044 1.6275 -0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4613 0.1900 -1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5169 -0.5998 1.4454 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7097 -1.3348 1.2957 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1938 -0.0245 -1.0081 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