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1007215-94-2 | 3,6,9-Trioxa-12-azatridecanoic acid, 13-(4-formylphenyl)-13-oxo-, 1,1-dimethylethyl ester
CAS No: 1007215-94-2 Catalog No: AG0002Q5 MDL No:
Product Description
Catalog Number:
AG0002Q5
Chemical Name:
3,6,9-Trioxa-12-azatridecanoic acid, 13-(4-formylphenyl)-13-oxo-, 1,1-dimethylethyl ester
CAS Number:
1007215-94-2
Molecular Formula:
C20H29NO7
Molecular Weight:
395.4468
IUPAC Name:
tert-butyl 2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]acetate
InChI:
InChI=1S/C20H29NO7/c1-20(2,3)28-18(23)15-27-13-12-26-11-10-25-9-8-21-19(24)17-6-4-16(14-22)5-7-17/h4-7,14H,8-13,15H2,1-3H3,(H,21,24)
InChI Key:
CNGPUCODLPWDJJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C(=O)NCCOCCOCCOCC(=O)OC(C)(C)C
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.194g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
395.452g/mol
Monoisotopic Mass:
395.194g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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