Dde-AEEA

CAT: 0127-BIBP1031-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-BIBP1031-02Size:5 g

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CAS Number

1263045-93-7

Synonyms

[2-[2- (Dde-amino) ethoxy]ethoxy]acetic acid ; Dde-8-amino-3,6-dioxaoctanoic acid ; Dde-O2Oc ; Dde-Adoa ; Dde-Ado

MDL Number

MFCD09752864

Purity

>98%

Smiles

CC(=C1C(=O)CC(C)(C)CC1=O)NCCOCCOCC(=O)O

Storage Conditions

Store at -20°C

Chemical Information

Dde-o2oc-oh

CAS Number	1263045-93-7
PubChem CID	136908402
IUPAC Name	2-[2-[2-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]ethoxy]ethoxy]acetic acid
Molecular Formula	C16H25NO6
Molecular Weight	327.37
XLogP	0.4
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Heavy Atom Count	23
Formal Charge	0
Complexity	507

SMILES

CC(=NCCOCCOCC(=O)O)C1=C(CC(CC1=O)(C)C)O

InChI

InChI=1S/C16H25NO6/c1-11(15-12(18)8-16(2,3)9-13(15)19)17-4-5-22-6-7-23-10-14(20)21/h18H,4-10H2,1-3H3,(H,20,21)

InChIKey

IHICFPPUJJDEHO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1263045-93-7

CID: 136908402

Formula: C16H25NO6

MW: 327.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	327.37
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Exact Mass	327.16818752
Monoisotopic Mass	327.16818752
Topological Polar Surface Area	105 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	507
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