Sodium Cromoglicate Impurity 16

CAT: 1596-AR-C08491-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C08491-01Size:10 Units

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CAS Number

16130-17-9

Molecular Formula

C11H13ClO4

Molecular Weight

244.67

API Name

Cromoglicic acid

Chemical Information

3Fxq3H6L7N

CAS Number	16130-17-9
PubChem CID	12888658
IUPAC Name	1-[2-(3-chloro-2-hydroxypropoxy)-6-hydroxyphenyl]ethanone
Molecular Formula	C11H13ClO4
Molecular Weight	244.67
XLogP	1.7
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	16
Formal Charge	0
Complexity	234

SMILES

CC(=O)C1=C(C=CC=C1OCC(CCl)O)O

InChI

InChI=1S/C11H13ClO4/c1-7(13)11-9(15)3-2-4-10(11)16-6-8(14)5-12/h2-4,8,14-15H,5-6H2,1H3

InChIKey

FNXHYZFRUSCLPV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16130-17-9

CID: 12888658

Formula: C11H13ClO4

MW: 244.67

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.67
XLogP3	1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	244.0502366
Monoisotopic Mass	244.0502366
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	234
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
AR-C09058-01	Sodium Cromoglicate Impurity 1
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
AR-C08488-01	Sodium Cromoglicate Impurity 10

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