Thalidomide-O-C6-COOH

CAT: 0607-BA3081-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA3081-10Size:10 mg

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CAS Number

2169266-69-5

Form

A solid

Molecular Formula

C20H22N2O7

Molecular Weight

402.40

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Thalidomide-O-C6-COOH

CAS Number	2169266-69-5
PubChem CID	132211974
IUPAC Name	7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptanoic acid
Molecular Formula	C20H22N2O7
Molecular Weight	402.4
XLogP	1.4
Topological Polar Surface Area	130
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Heavy Atom Count	29
Formal Charge	0
Complexity	692

SMILES

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCCCCCC(=O)O

InChI

InChI=1S/C20H22N2O7/c23-15-10-9-13(18(26)21-15)22-19(27)12-6-5-7-14(17(12)20(22)28)29-11-4-2-1-3-8-16(24)25/h5-7,13H,1-4,8-11H2,(H,24,25)(H,21,23,26)

InChIKey

BATNDOUDCIVVSL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2169266-69-5

CID: 132211974

Formula: C20H22N2O7

MW: 402.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	402.4
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Exact Mass	402.14270105
Monoisotopic Mass	402.14270105
Topological Polar Surface Area	130 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	692
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