AG0039Z5

462100-06-7 | 2,2-Dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azahexadecan-16-oic acid

AG0039Z5

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CAS Number	462100-06-7
Catalog Number	AG0039Z5(AGN-PC-0OAJC9)
Chemical Name	2,2-Dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azahexadecan-16-oic acid
IUPAC Name	2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]acetic acid
InChI	InChI=1S/C13H25NO7/c1-13(2,3)21-12(17)14-4-5-18-6-7-19-8-9-20-10-11(15)16/h4-10H2,1-3H3,(H,14,17)(H,15,16)
InChI Key	IFSMYFLQPDFUOI-UHFFFAOYSA-N
MDL Number	MFCD22376773
Molecular Formula	C13H25NO7
Molecular Weight	307.3401
SMILES	CC(C)(C)OC(NCCOCCOCCOCC(O)=O)=O
Synonyms	2,2-Dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azahexadecan-16-oic acid, 462100-06-7, BocNH-PEG3-CH2COOH, AK340843, SCHEMBL3617073, KS-00000LEX, t-boc-N-amido-PEG3-acetic acid, t-Boc-N-amido-PEG3-CH2CO2H, CS-D0410, MFCD22376773, ZINC98213229, AKOS027338606, BP-22983, DS-12212, SC-82259, SY103712, MFCD22376773 (98%), 3,6,9-Trioxa-11-(N-Boc-amino)undecanoic acid, 2-[2-[2-[2-(Boc-amino)ethoxy]ethoxy]ethoxy]acetic Acid, 2,2-DIMETHYL-4-OXO-3,8,11,14-TETRAOXA-5-AZAHEXADEC, 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]acetic acid,

Complexity	301
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	307.163g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	307.343g/mol
Monoisotopic Mass	307.163g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	103A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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