Sodium Cromoglicate Impurity 34

CAT: 1299-RM-C182734-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C182734-01Size:10 mg

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CAS Number

16555-98-9

Synonyms

6-acetyl-7-hydroxy-4-methyl-2H-chromen-2-one

Molecular Formula

C12H10O4

Molecular Weight

218.21

Target Alternative Name

Sodium Cromoglicate

Product Name Synonym

6-acetyl-7-hydroxy-4-methyl-2H-chromen-2-one

Chemical Information

6-Acetyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one

CAS Number	16555-98-9
PubChem CID	5977496
IUPAC Name	6-acetyl-7-hydroxy-4-methylchromen-2-one
Molecular Formula	C12H10O4
Molecular Weight	218.20
XLogP	2.1
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	358

SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)C(=O)C)O

InChI

InChI=1S/C12H10O4/c1-6-3-12(15)16-11-5-10(14)9(7(2)13)4-8(6)11/h3-5,14H,1-2H3

InChIKey

AYAFDQIOLUUJHW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16555-98-9

CID: 5977496

Formula: C12H10O4

MW: 218.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.20
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	218.05790880
Monoisotopic Mass	218.05790880
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	358
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
Compound Is Canonicalized	Yes

Catalog	Name
RM-C182725-01	Sodium Cromoglicate Impurity 25
RM-C182723-01	Sodium Cromoglicate Impurity 23
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