Azido-PEG3-aldehyde

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CAS Number

1807530-10-4

MDL Number

MFCD28976706

Smiles

[N-]=[N+]=NCCOCCOCCOCCC=O

Chemical Information

Azido-PEG3-aldehyde

CAS Number	1807530-10-4
PubChem CID	102514882
IUPAC Name	3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]propanal
Molecular Formula	C9H17N3O4
Molecular Weight	231.25
XLogP	0.1
Topological Polar Surface Area	59.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	12
Heavy Atom Count	16
Formal Charge	0
Complexity	207

SMILES

C(COCCOCCOCCN=[N+]=[N-])C=O

InChI

InChI=1S/C9H17N3O4/c10-12-11-2-5-15-7-9-16-8-6-14-4-1-3-13/h3H,1-2,4-9H2

InChIKey

NYVGWHGMRDHPFF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1807530-10-4

CID: 102514882

Formula: C9H17N3O4

MW: 231.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.25
XLogP3	0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	12
Exact Mass	231.12190603
Monoisotopic Mass	231.12190603
Topological Polar Surface Area	59.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	207
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
BUP11733	Azido-PEG3-azide
BIPG1138-01	Azido-PEG3-azide
OR1035824	Azido-PEG3-SS-PEG3-azide
OR1002127	M-PEG3-aldehyde
OR1035337	Biotin-PEG3-aldehyde
BIPG1116-01	Azido-PEG3-Alcohol
BIPG2080-01	Azido-PEG3-triethoxysilane
OR1032020	Azido-PEG3-SSPy
BIPG1105-01	Azido-PEG3-acid
OR1005838	N- (Azido-PEG3) -N- (PEG2-amine) -PEG3-acid