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
-1.1594 0.5603 0.6347 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8194 -0.8504 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2953 -1.1498 -0.2428 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2395 -0.1393 -0.7313 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2682 -0.5518 -1.3215 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0521 1.2125 -0.5750 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2496 1.1498 -0.2977 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1243 0.6796 1.1773 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3588 1.0453 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4687 -1.6369 0.7234 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4979 -2.2138 -0.3965 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8272 1.8944 -0.6205 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