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
-2.0530 0.3603 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7632 -0.3467 -0.2051 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3637 0.2901 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6488 -0.3935 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6709 -1.5982 -0.4571 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8550 0.2058 0.1875 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8863 1.4028 -0.4568 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8685 -0.0724 -0.6553 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3039 0.4060 1.0351 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7689 -1.3831 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3504 1.3144 0.3898 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7551 -0.1853 -0.0623 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