Luna Chemicals

Also known as:

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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3,5-Dimethyl-4-hydroxybenzonitrile

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CAS Number

4198-90-7

End Use API

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients an...

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients and intermediate chemicals for generic pharmaceutical companies. Our Development Team focus strategically on the core therapeutic areas: cardiovascular, anti-depressant, allergic, healthcare and plant extraction. We provide technical support and efficient regulatory documentation for manufacturers, intellectual property(IP) was always carefully considered as well. We also provide excellent outsourcing services to customers and laboratory support.

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