Monomers
Acrylic anhydride
Identifiers
IUPAC name
prop-2-enoyl prop-2-enoate
InchI
InChI=1S/C6H6O3/c1-3-5(7)9-6(8)4-2/h3-4H,1-2H2
InchI Key
ARJOQCYCJMAIFR-UHFFFAOYSA-N
SMILES
C=CC(=O)OC(=O)C=C
Canonical SMILES
C=CC(=O)OC(=O)C=C
Isomeric SMILES
C=CC(=O)OC(=O)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H6O3
Heavy Atom Count
9
Molecular Weight
126.111
Exact Molecular Weight
126.0317
Valence Electrons
48
Radical Electrons
0
tPSA
43.37
MolLogP
0.4282
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
15 14 0 0 0 0 0 0 0 0999 V2000
1.3119 -2.9146 1.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2457 -1.8724 0.3005 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1532 -0.9337 0.4505 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7467 -1.1096 1.3417 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0010 0.1975 -0.3360 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0598 1.0809 -0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8905 0.8212 0.7321 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2152 2.2702 -1.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3630 2.5700 -1.9535 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1250 -3.6091 0.9732 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5633 -3.0717 1.8382 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9827 -1.7115 -0.4429 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0508 2.9187 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5279 3.4599 -2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4733 1.9043 -2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 2 0
6 8 1 0
8 9 2 3
1 10 1 0
1 11 1 0
2 12 1 0
8 13 1 0
9 14 1 0
9 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers