Allchem Lifescience | 877997-98-3 | Related Intermediates | Manufacturers & Suppliers

1 2D Structure

877997-98-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

phenyl 2-hydroxy-4,5-dimethoxybenzoate

2.1.2 InChI

InChI=1S/C15H14O5/c1-18-13-8-11(12(16)9-14(13)19-2)15(17)20-10-6-4-3-5-7-10/h3-9,16H,1-2H3

2.1.3 InChI Key

JXURAFZSOJQXKD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C=C(C(=C1)C(=O)OC2=CC=CC=C2)O)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 877997-98-3

2. Mfcd08063359

3. Phenyl2-hydroxy-4,5-dimethoxybenzoate

4. Schembl1041629

5. Dtxsid80698444

6. Jxurafzsojqxkd-uhfffaoysa-n

7. Bcp18595

8. Ckb99798

9. Akos016002134

10. Ds-15438

11. Sy108239

12. Cs-0150609

13. Ft-0751906

14. F14808

15. A922661

2.3 Create Date

2011-10-30

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₄O₅
Molecular Weight	274.27 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	65
Heavy Atom Count	20
Formal Charge	0
Complexity	313
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	1