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
-1.9922 0.3028 -0.2919 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5237 0.3537 -0.1914 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 -0.6382 0.2547 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 -0.5030 0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3400 -1.4737 0.7527 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3404 0.6405 -0.0680 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4052 1.3197 -0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3560 -0.0350 -1.2826 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3488 -0.3602 0.5358 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0358 1.2615 -0.5038 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2733 -1.5446 0.5662 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3652 0.6765 0.0388 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