Sodium Cromoglicate Impurity 5

CAT: 1299-RM-C182705-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C182705-01Size:10 mg

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CAS Number

16130-28-2

Synonyms

1- (2-hydroxy-6- (oxiran-2-ylmethoxy) phenyl) ethan-1-one

Molecular Formula

C11H12O4

Molecular Weight

208.21

Target Alternative Name

Sodium Cromoglicate

Product Name Synonym

1- (2-hydroxy-6- (oxiran-2-ylmethoxy) phenyl) ethan-1-one

Chemical Information

1-(2-Acetyl-3-hydroxyphenoxy)-2,3-epoxypropane

CAS Number	16130-28-2
PubChem CID	12355855
IUPAC Name	1-[2-hydroxy-6-(oxiran-2-ylmethoxy)phenyl]ethanone
Molecular Formula	C11H12O4
Molecular Weight	208.21
XLogP	1.5
Topological Polar Surface Area	59.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	241

SMILES

CC(=O)C1=C(C=CC=C1OCC2CO2)O

InChI

InChI=1S/C11H12O4/c1-7(12)11-9(13)3-2-4-10(11)15-6-8-5-14-8/h2-4,8,13H,5-6H2,1H3

InChIKey

KZBZEURFRUYSFS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16130-28-2

CID: 12355855

Formula: C11H12O4

MW: 208.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.21
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	208.07355886
Monoisotopic Mass	208.07355886
Topological Polar Surface Area	59.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	241
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-C03708-01	Sodium Cromoglicate Impurity 2
AR-C08483-01	Sodium Cromoglicate Impurity 4