1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethenyl acetate;phthalic acid

2.1.2 InChI

InChI=1S/C8H6O4.C4H6O2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-3-6-4(2)5/h1-4H,(H,9,10)(H,11,12);3H,1H2,2H3

2.1.3 InChI Key

LUJQXGBDWAGQHS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)OC=C.C1=CC=C(C(=C1)C(=O)O)C(=O)O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Polyvinylacetate Phthalate Polymer

2. Pvap

2.2.2 Depositor-Supplied Synonyms

1. Pvap

2. 34481-48-6

3. Ethenyl Acetate;phthalic Acid

4. 53237-50-6

5. Unii-58qvg85gw3

6. Polyvinyl Acetate Phthalate [nf]

7. Polyvinylacetate Phthalate Polymer

8. Schembl3106

9. 58qvg85gw3

10. 1,2-benzenedicarboxylic Acid, Polymer With Ethenyl Acetate

11. Dtxsid40956012

12. Ethenol, Homopolymer, Acetate 1,2-benzenedicarboxylate

13. Benzene-1,2-dicarboxylic Acid--ethenyl Acetate (1/1)

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₂O₆
Molecular Weight	252.22 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	252.06338810 g/mol
Monoisotopic Mass	252.06338810 g/mol
Topological Polar Surface Area	101 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	243
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

PVAP