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
-2.0603 -0.0987 -0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6252 -0.1168 -0.5089 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3231 0.0240 0.3858 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7172 0.0036 0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0474 -0.1514 -1.1566 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6828 0.1536 0.9900 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3187 0.8421 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6862 -0.1569 -1.0523 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3583 -0.9342 0.5058 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3427 -0.2535 -1.5543 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0290 0.1577 1.4107 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5920 0.5305 0.7585 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