Sodium Cromoglicate Impurity 23

CAT: 1299-RM-C182723-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-C182723-01Size:10 mg

Selected

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

Quick Request Actions

CAS Number

40786-62-7

Synonyms

5- (3- (2-acetyl-3-hydroxyphenoxy) -2-hydroxypropoxy) -4-oxo-4H-chromene-2-carboxylic acid

Molecular Formula

C21H18O9

Molecular Weight

414.37

Target Alternative Name

Sodium Cromoglicate

Product Name Synonym

5- (3- (2-acetyl-3-hydroxyphenoxy) -2-hydroxypropoxy) -4-oxo-4H-chromene-2-carboxylic acid

Chemical Information

5-(3-(2-Acetyl-3-hydroxyphenoxy)-2-hydroxypropoxy)-4-oxo-4H-chromene-2-carboxylic acid

CAS Number	40786-62-7
PubChem CID	13090973
IUPAC Name	5-[3-(2-acetyl-3-hydroxyphenoxy)-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid
Molecular Formula	C21H18O9
Molecular Weight	414.4
XLogP	2.5
Topological Polar Surface Area	140
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Heavy Atom Count	30
Formal Charge	0
Complexity	688

SMILES

CC(=O)C1=C(C=CC=C1OCC(COC2=CC=CC3=C2C(=O)C=C(O3)C(=O)O)O)O

InChI

InChI=1S/C21H18O9/c1-11(22)19-13(24)4-2-5-15(19)28-9-12(23)10-29-16-6-3-7-17-20(16)14(25)8-18(30-17)21(26)27/h2-8,12,23-24H,9-10H2,1H3,(H,26,27)

InChIKey

QETJQWNWGMQYEW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40786-62-7

CID: 13090973

Formula: C21H18O9

MW: 414.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	414.4
XLogP3	2.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Exact Mass	414.09508215
Monoisotopic Mass	414.09508215
Topological Polar Surface Area	140 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	688
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-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
RM-C182718-01	Sodium Cromoglicate Impurity 18

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-C03708-01	Sodium Cromoglicate Impurity 2
AR-C08483-01	Sodium Cromoglicate Impurity 4