Shree Ganesh Remedies

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Molecular Formula

C₁₁H₁₀N₂O₄

Molecular Weight

234.21 g/mol

InChI Key

SOLQIFINSOHAQD-UHFFFAOYSA-N

1 2D Structure

CAS 179688-53-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(7-methoxy-4-oxo-1H-quinazolin-6-yl) acetate

2.1.2 InChI

InChI=1S/C11H10N2O4/c1-6(14)17-10-3-7-8(4-9(10)16-2)12-5-13-11(7)15/h3-5H,1-2H3,(H,12,13,15)

2.1.3 InChI Key

SOLQIFINSOHAQD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)OC1=C(C=C2C(=C1)C(=O)N=CN2)OC

2.1.5 Isomeric SMILES

CC(=O)OC1=C(C=C2C(=C1)C(=O)N=CN2)OC

2.2 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₀N₂O₄
Molecular Weight	234.21 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	234.06405680 g/mol
Monoisotopic Mass	234.06405680 g/mol
Topological Polar Surface Area	77 A^2
Heavy Atom Count	17
Formal Charge	0
Complexity	355
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

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CAS Number

57616-74-7

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Shree Ganesh Remedies is established Since 1995 with an aim to manufacture, supply and export best qualit...

Shree Ganesh Remedies is established Since 1995 with an aim to manufacture, supply and export best quality of Pharmaceutical-intermediates, Bulk drugs and Speciality Chemicals to cater the needs of pharmaceutical companies and drug companies for research and product development purpose

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