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
-1.0792 -0.4862 -0.7694 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8928 0.8171 -0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1688 1.0667 0.5706 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1954 0.0667 0.7485 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2328 0.3393 1.4493 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1640 -1.2047 0.2144 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0591 -0.5090 -1.2969 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1210 -1.3490 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2737 -0.6639 -1.5091 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6892 1.5609 -0.2856 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3164 2.0362 1.0481 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0375 -1.6741 0.0285 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