Sodium Cromoglicate Impurity 18

CAT: 1299-RM-C182718-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-C182718-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

40786-63-8

Synonyms

Ethyl 5- (3- (2-acetyl-3-hydroxyphenoxy) -2-hydroxypropoxy) -4-oxo-4H-chromene-2-carboxylate

Molecular Formula

C23H22O9

Molecular Weight

442.42

Target Alternative Name

Sodium Cromoglicate

Product Name Synonym

Ethyl 5- (3- (2-acetyl-3-hydroxyphenoxy) -2-hydroxypropoxy) -4-oxo-4H-chromene-2-carboxylate

Chemical Information

ethyl 5-(3-[2-acetyl-3-hydroxyphenoxy]-2-hydroxypropoxy)-4-oxo-4H-1-benzopyran-2-carboxylate

CAS Number	40786-63-8
PubChem CID	13090971
IUPAC Name	ethyl 5-[3-(2-acetyl-3-hydroxyphenoxy)-2-hydroxypropoxy]-4-oxochromene-2-carboxylate
Molecular Formula	C23H22O9
Molecular Weight	442.4
XLogP	3.2
Topological Polar Surface Area	129
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	10
Heavy Atom Count	32
Formal Charge	0
Complexity	718

SMILES

CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2OCC(COC3=CC=CC(=C3C(=O)C)O)O

InChI

InChI=1S/C23H22O9/c1-3-29-23(28)20-10-16(27)22-18(8-5-9-19(22)32-20)31-12-14(25)11-30-17-7-4-6-15(26)21(17)13(2)24/h4-10,14,25-26H,3,11-12H2,1-2H3

InChIKey

YPTLEBYINLARQV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40786-63-8

CID: 13090971

Formula: C23H22O9

MW: 442.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	442.4
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	10
Exact Mass	442.12638228
Monoisotopic Mass	442.12638228
Topological Polar Surface Area	129 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	718
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-C182725-01	Sodium Cromoglicate Impurity 25
RM-C182723-01	Sodium Cromoglicate Impurity 23
RM-C182734-01	Sodium Cromoglicate Impurity 34
RM-C182712-01	Sodium Cromoglicate Impurity 12
RM-C182715-01	Sodium Cromoglicate Impurity 15
RM-C182730-01	Sodium Cromoglicate Impurity 30
RM-C182708-01	Sodium Cromoglicate Impurity 8
RM-C182704-01	Sodium Cromoglicate Impurity 4
RM-C182729-01	Sodium Cromoglicate Impurity 29
RM-C182714-01	Sodium Cromoglicate Impurity 14

Catalog	Name
AR-C09058-01	Sodium Cromoglicate Impurity 1
AR-C08491-01	Sodium Cromoglicate Impurity 16
AR-C08493-01	Sodium Cromoglicate Impurity 18
AR-C08497-01	Sodium Cromoglicate Impurity 12
AR-C08490-01	Sodium Cromoglicate Impurity 15
AR-C08496-01	Sodium Cromoglicate Impurity 11
AR-C08494-01	Sodium Cromoglicate Impurity 19
AR-C08487-01	Sodium Cromoglicate Impurity 9
AR-C08498-01	Sodium Cromoglicate Impurity 13
AR-C08492-01	Sodium Cromoglicate Impurity 17