Adipic Acid Impurity 2

CAT: 1596-AR-A05705-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A05705-02Size:25 Units

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CAS Number

24418-35-7

Synonyms

3,3,14,14-tetramethyl-1,5,12,16-tetraoxacyclodocosane-6,11,17,22-tetraone

Molecular Formula

C22H36O8

Molecular Weight

428.52

API Name

Adipic acid

Chemical Information

3,3,14,14-Tetramethyl-1,5,12,16-tetraoxacyclodocosane-6,11,17,22-tetraone

CAS Number	24418-35-7
PubChem CID	156594958
IUPAC Name	3,3,14,14-tetramethyl-1,5,12,16-tetraoxacyclodocosane-6,11,17,22-tetrone
Molecular Formula	C22H36O8
Molecular Weight	428.5
XLogP	3.1
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Heavy Atom Count	30
Formal Charge	0
Complexity	494

SMILES

CC1(COC(=O)CCCCC(=O)OCC(COC(=O)CCCCC(=O)OC1)(C)C)C

InChI

InChI=1S/C22H36O8/c1-21(2)13-27-17(23)9-5-7-11-19(25)29-15-22(3,4)16-30-20(26)12-8-6-10-18(24)28-14-21/h5-16H2,1-4H3

InChIKey

HWNCPYVDWOCHJN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24418-35-7

CID: 156594958

Formula: C22H36O8

MW: 428.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	428.5
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Exact Mass	428.24101810
Monoisotopic Mass	428.24101810
Topological Polar Surface Area	105 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	494
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
AR-A05704-01	Adipic Acid Impurity 1
AR-A05702-01	Adipic Acid Impurity 3
AR-A05703-01	Adipic Acid Impurity 4
AR-M08533-01	Adipic Acid
AR-A05700-01	Adipic Acid Pentamethylene Ester
AR-G01430-01	Glucaric Acid Impurity 2
AR-F01962-01	Folinic Acid Impurity 2
AR-F09780-01	Hexadecanoic Acid Impurity 2
AR-E09452-01	Eicosapentaenoic Acid Impurity 2
AR-S10677-01	Sorbic Acid Impurity 2

Catalog	Name
RM-A041604-01	Adipic Acid Impurity 4
RM-A041602-01	Adipic Acid Impurity 2
RM-A041601-01	Adipic Acid EP Impurity A
RM-A041603-01	Adipic Acid Impurity 3
RM-L241648-01	Loxoprofen Impurity 22; Adipic Acid
RG-P131201-01	Pimelic Acid; Adipic Acid EP Impurity C
RG-S210301-01	Succinic Acid; Adipic Acid EP Impurity B
GK2348-500g	Adipic acid