Jinan Tantu 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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Jinan Tantu Chemicals offers customized R&D services & production of small molecule APIs & pharmaceutical intermediates.

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3-Aminophenylacetylene

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CAS Number

54060-30-9

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Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) ...

Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) that serves pharmaceutical companies worldwide. Our core services include customized R&D as well as the production of small molecule pharmaceutical intermediates and Active Pharmaceutical Ingredients (APIs) for both international and domestic pharmaceutical firms. Our capabilities span from laboratory-scale kilograms to commercial ton-scale production. Additionally, we are committed to independent research and development, as well as the production and sales of high-end pharmaceutical intermediates and API products.