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1309460-27-2 | Propanoic acid, 3-[[13-(4-formylphenyl)-13-oxo-3,6,9-trioxa-12-azatridec-1-yl]oxy]-
CAS No: 1309460-27-2 Catalog No: AG000V5D MDL No:MFCD18916985
Product Description
Catalog Number:
AG000V5D
Chemical Name:
Propanoic acid, 3-[[13-(4-formylphenyl)-13-oxo-3,6,9-trioxa-12-azatridec-1-yl]oxy]-
CAS Number:
1309460-27-2
Molecular Formula:
C19H27NO8
Molecular Weight:
397.4196
MDL Number:
MFCD18916985
IUPAC Name:
3-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
InChI:
InChI=1S/C19H27NO8/c21-15-16-1-3-17(4-2-16)19(24)20-6-8-26-10-12-28-14-13-27-11-9-25-7-5-18(22)23/h1-4,15H,5-14H2,(H,20,24)(H,22,23)
InChI Key:
BRYBRKJZWQVXNZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C(=O)NCCOCCOCCOCCOCCC(=O)O
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.174g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
397.424g/mol
Monoisotopic Mass:
397.174g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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