Thalidomide-O-C4-COOH

CAT: 0607-BA3309-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA3309-25Size:25 mg

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CAS Number

2169266-67-3

Form

A solid

Molecular Formula

C18H18N2O7

Molecular Weight

374.34

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Thalidomide-O-C4-COOH

CAS Number	2169266-67-3
PubChem CID	132211977
IUPAC Name	5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanoic acid
Molecular Formula	C18H18N2O7
Molecular Weight	374.3
XLogP	0.5
Topological Polar Surface Area	130
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	27
Formal Charge	0
Complexity	662

SMILES

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

InChI

InChI=1S/C18H18N2O7/c21-13-8-7-11(16(24)19-13)20-17(25)10-4-3-5-12(15(10)18(20)26)27-9-2-1-6-14(22)23/h3-5,11H,1-2,6-9H2,(H,22,23)(H,19,21,24)

InChIKey

HCUNNTIALPNNPY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2169266-67-3

CID: 132211977

Formula: C18H18N2O7

MW: 374.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	374.3
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	374.11140092
Monoisotopic Mass	374.11140092
Topological Polar Surface Area	130 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	662
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